-
1
-
-
0024848412
-
Structural and stereochemical relations between acidic macromolecules of organic matrices and crystals
-
Addadi, L., A. Berman, J.M. Oldak, and S. Weiner. 1989. Structural and stereochemical relations between acidic macromolecules of organic matrices and crystals. Connective Tissue Research 21(1-4):457-465.
-
(1989)
Connective Tissue Research
, vol.21
, Issue.1-4
, pp. 457-465
-
-
Addadi, L.1
Berman, A.2
Oldak, J.M.3
Weiner, S.4
-
2
-
-
3042988525
-
Conformational-analysis.130. Mm2--Hydrocarbon force-field utilizing V1 and V2 torsional terms
-
Allinger, N.L. 1977. Conformational-analysis.130. Mm2--Hydrocarbon force-field utilizing V1 and V2 torsional terms. Journal of the American Chemical Society 99(25):8127-8134.
-
(1977)
Journal of the American Chemical Society
, vol.99
, Issue.25
, pp. 8127-8134
-
-
Allinger, N.L.1
-
3
-
-
18744402303
-
Determination of electrostatic parameters for a polarizable force field based on the classical Drude oscillator
-
Anisimov, V.M., G. Lamoureux, I.V. Vorobyov, N. Huang, B. Roux, and A.D. MacKerell. 2005. Determination of electrostatic parameters for a polarizable force field based on the classical Drude oscillator. Journal of Chemical Theory and Computation 1(1):153-168.
-
(2005)
Journal of Chemical Theory and Computation
, vol.1
, Issue.1
, pp. 153-168
-
-
Anisimov, V.M.1
Lamoureux, G.2
Vorobyov, I.V.3
Huang, N.4
Roux, B.5
MacKerell, A.D.6
-
4
-
-
0028155689
-
New method for predicting binding-affinity in computer-aided drug design
-
Aqvist, J., C. Medina, and J.E. Samuelsson. 1994. New method for predicting binding-affinity in computer-aided drug design. Protein Engineering 7(3):385-391.
-
(1994)
Protein Engineering
, vol.7
, Issue.3
, pp. 385-391
-
-
Aqvist, J.1
Medina, C.2
Samuelsson, J.E.3
-
5
-
-
7044224837
-
Computer simulations of membrane proteins
-
Ash, W.L., M.R. Zlomislic, E.O. Oloo, and D.P. Tieleman. 2004. Computer simulations of membrane proteins. Biochimica et Biophysica Acta-Biomembranes 1666(1-2):158-189.
-
(2004)
Biochimica et Biophysica Acta-Biomembranes
, vol.1666
, Issue.1-2
, pp. 158-189
-
-
Ash, W.L.1
Zlomislic, M.R.2
Oloo, E.O.3
Tieleman, D.P.4
-
6
-
-
77949576095
-
Roles of electrostatics and conformation in protein-crystal interactions
-
Azzopardi, P.V., J. O’Young, G. Lajoie, M. Karttunen, H.A. Goldberg, and G.K. Hunter. 2010. Roles of electrostatics and conformation in protein-crystal interactions. Plos One 5(2):e9330.
-
(2010)
Plos One
, vol.5
, Issue.2
-
-
Azzopardi, P.V.1
O’Young, J.2
Lajoie, G.3
Karttunen, M.4
Goldberg, H.A.5
Hunter, G.K.6
-
7
-
-
0041821836
-
A perspective on enzyme catalysis
-
Benkovic, S.J. and S. Hammes-Schiffer. 2003. A perspective on enzyme catalysis. Science 301(5637):1196-1202.
-
(2003)
Science
, vol.301
, Issue.5637
, pp. 1196-1202
-
-
Benkovic, S.J.1
Hammes-Schiffer, S.2
-
8
-
-
66249134934
-
Surface characteristics of nanocrystalline apatites: Effect of Mg surface enrichment on morphology, surface hydration species, and cationic environments
-
Bertinetti, L., C. Drouet, C. Combes, C. Rey, A. Tampieri, S. Coluccia, and G. Martra. 2009. Surface characteristics of nanocrystalline apatites: Effect of Mg surface enrichment on morphology, surface hydration species, and cationic environments. Langmuir 25(10):5647-5654.
-
(2009)
Langmuir
, vol.25
, Issue.10
, pp. 5647-5654
-
-
Bertinetti, L.1
Drouet, C.2
Combes, C.3
Rey, C.4
Tampieri, A.5
Coluccia, S.6
Martra, G.7
-
9
-
-
0026348781
-
Expression of bone sialoprotein (BSP) in developing human tissues
-
Bianco, P., L.W. Fisher, M.F. Young, J.D. Termine, and P.G. Robey. 1991. Expression of bone sialoprotein (BSP) in developing human tissues.Calcified Tissue International 49(6):421-426.
-
(1991)
Calcified Tissue International
, vol.49
, Issue.6
, pp. 421-426
-
-
Bianco, P.1
Fisher, L.W.2
Young, M.F.3
Termine, J.D.4
Robey, P.G.5
-
10
-
-
0027399936
-
Localization of bone sialoprotein (BSP) to Golgi and post-Golgi secretory structures in osteoblasts and to discrete sites in early bone-matrix
-
Bianco, P., M. Riminucci, G. Silvestrini, E. Bonucci, J.D. Termine, L.W. Fisher, and P.G. Robey. 1993. Localization of bone sialoprotein (BSP) to Golgi and post-Golgi secretory structures in osteoblasts and to discrete sites in early bone-matrix. Journal of Histochemistry and Cytochemistry 41(2):193-203.
-
(1993)
Journal of Histochemistry and Cytochemistry
, vol.41
, Issue.2
, pp. 193-203
-
-
Bianco, P.1
Riminucci, M.2
Silvestrini, G.3
Bonucci, E.4
Termine, J.D.5
Fisher, L.W.6
Robey, P.G.7
-
11
-
-
2742515916
-
Sampling ensembles of deterministic transition pathways
-
Bolhuis, P.G., C. Dellago, and D. Chandler. 1998. Sampling ensembles of deterministic transition pathways. Faraday Discussions 110:421-436.
-
(1998)
Faraday Discussions
, vol.110
, pp. 421-436
-
-
Bolhuis, P.G.1
Dellago, C.2
Chandler, D.3
-
12
-
-
33644644163
-
Insertion and assembly of membrane proteins via simulation
-
Bond, P.J. and M.S.P. Sansom. 2006. Insertion and assembly of membrane proteins via simulation. Journal of the American Chemical Society 128(8):2697-2704.
-
(2006)
Journal of the American Chemical Society
, vol.128
, Issue.8
, pp. 2697-2704
-
-
Bond, P.J.1
Sansom, M.S.P.2
-
13
-
-
80051993203
-
Bone mineralization
-
2nd ed., S.C. Cowin (ed.) (Boca Raton, FL: CRC Press)
-
Boskey, A.L. 2000. Bone mineralization. In Bone Mechanics Handbook, 2nd ed., S.C. Cowin (ed.) (Boca Raton, FL: CRC Press), pp. 5.1-5.31.
-
(2000)
Bone Mechanics Handbook
, pp. 5.1-5.31
-
-
Boskey, A.L.1
-
16
-
-
24944493938
-
Toward highresolution de novo structure prediction for small proteins
-
Bradley, P., K.M.S. Misura, and D. Baker. 2005. Toward highresolution de novo structure prediction for small proteins. Science 309(5742):1868-1871.
-
(2005)
Science
, vol.309
, Issue.5742
, pp. 1868-1871
-
-
Bradley, P.1
Misura, K.M.S.2
Baker, D.3
-
17
-
-
67650500988
-
CHARMM: The biomolecular simulation program
-
Brooks, B.R., C.L. Brooks, A.D. Mackerell, L. Nilsson, R.J. Petrella, B. Roux, Y. Won et al. 2009. CHARMM: The biomolecular simulation program. Journal of Computational Chemistry 30(10):1545-1614.
-
(2009)
Journal of Computational Chemistry
, vol.30
, Issue.10
, pp. 1545-1614
-
-
Brooks, B.R.1
Brooks, C.L.2
Mackerell, A.D.3
Nilsson, L.4
Petrella, R.J.5
Roux, B.6
Won, Y.7
-
18
-
-
84986512474
-
CHARMMA program for macromolecular energy, minimization, and dynamics calculations
-
Brooks, B.R., R.E. Bruccoleri, B.D. Olafson, D.J. States, S. Swaminathan, and M. Karplus. 1983. CHARMMA program for macromolecular energy, minimization, and dynamics calculations. Journal of Computational Chemistry 4(2):187-217.
-
(1983)
Journal of Computational Chemistry
, vol.4
, Issue.2
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
20
-
-
0036009145
-
A view at the millennium: The efficiency of enzymatic catalysis
-
Bruice, T.C. 2002. A view at the millennium: The efficiency of enzymatic catalysis. Accounts of Chemical Research 35(3):139-148.
-
(2002)
Accounts of Chemical Research
, vol.35
, Issue.3
, pp. 139-148
-
-
Bruice, T.C.1
-
21
-
-
0033991066
-
Influence of polyaspartic acid and phosphophoryn on octacalcium phosphate growth kinetics
-
Burke, E.M., Y. Guo, L. Colon, M. Rahima, A. Veis, and G.H. Nancollas. 2000. Influence of polyaspartic acid and phosphophoryn on octacalcium phosphate growth kinetics. Colloids and Surfaces B-Biointerfaces 17(1):49-57.
-
(2000)
Colloids and Surfaces B-Biointerfaces
, vol.17
, Issue.1
, pp. 49-57
-
-
Burke, E.M.1
Guo, Y.2
Colon, L.3
Rahima, M.4
Veis, A.5
Nancollas, G.H.6
-
22
-
-
4243606192
-
Unified approach for moleculardynamics and density-functional theory
-
Car, R. and M. Parrinello. 1985. Unified approach for moleculardynamics and density-functional theory. Physical Review Letters 55(22):2471-2474.
-
(1985)
Physical Review Letters
, vol.55
, Issue.22
, pp. 2471-2474
-
-
Car, R.1
Parrinello, M.2
-
23
-
-
0033974667
-
Accommodating protein flexibility in computational drug design
-
Carlson, H.A. and J.A. McCammon. 2000. Accommodating protein flexibility in computational drug design. Molecular Pharmacology 57(2):213-218.
-
(2000)
Molecular Pharmacology
, vol.57
, Issue.2
, pp. 213-218
-
-
Carlson, H.A.1
McCammon, J.A.2
-
24
-
-
0028158933
-
Bone sialoprotein messenger-RNA expression and ultrastructural-localization in fetal porcine calvarial bone--Comparisons with osteopontin
-
Chen, J., M.D. Mckee, A. Nanci, and J. Sodek. 1994. Bone sialoprotein messenger-RNA expression and ultrastructural-localization in fetal porcine calvarial bone--Comparisons with osteopontin. Histochemical Journal 26(1):67-78.
-
(1994)
Histochemical Journal
, vol.26
, Issue.1
, pp. 67-78
-
-
Chen, J.1
McKee, M.D.2
Nanci, A.3
Sodek, J.4
-
25
-
-
0026616751
-
Developmental expression of bone sialoprotein messenger-RNA in rat mineralized connective tissues
-
Chen, J.K., H.S. Shapiro, and J. Sodek. 1992a. Developmental expression of bone sialoprotein messenger-RNA in rat mineralized connective tissues. Journal of Bone and Mineral Research 7(8):987-997.
-
(1992)
Journal of Bone and Mineral Research
, vol.7
, Issue.8
, pp. 987-997
-
-
Chen, J.K.1
Shapiro, H.S.2
Sodek, J.3
-
26
-
-
0025755722
-
Localization of bone sialoprotein (BSP) expression to sites of mineralized tissue formation in fetal-rat tissues by in situ hybridization
-
Chen, J.K., H.S. Shapiro, J.L. Wrana, S. Reimers, J.N.M. Heersche, and J. Sodek. 1991. Localization of bone sialoprotein (BSP) expression to sites of mineralized tissue formation in fetal-rat tissues by in situ hybridization. Matrix 11(2):133-143.
-
(1991)
Matrix
, vol.11
, Issue.2
, pp. 133-143
-
-
Chen, J.K.1
Shapiro, H.S.2
Wrana, J.L.3
Reimers, S.4
Heersche, J.N.M.5
Sodek, J.6
-
27
-
-
0027471503
-
Developmental expression of osteopontin (Opn) messenger-RNA in rat-tissues-Evidence for a role for Opn in bone-formation and resorption
-
Chen, J.K., K. Singh, B.B. Mukherjee, and J. Sodek. 1993. Developmental expression of osteopontin (Opn) messenger-RNA in rat-tissues-Evidence for a role for Opn in bone-formation and resorption. Matrix 13(2):113-123.
-
(1993)
Matrix
, vol.13
, Issue.2
, pp. 113-123
-
-
Chen, J.K.1
Singh, K.2
Mukherjee, B.B.3
Sodek, J.4
-
28
-
-
0026493764
-
Calcium and collagen binding-properties of osteopontin, bone sialoprotein, and bone acidic glycoprotein-75 from bone
-
Chen, Y., B.S. Bal, and J.P. Gorski. 1992b. Calcium and collagen binding-properties of osteopontin, bone sialoprotein, and bone acidic glycoprotein-75 from bone. Journal of Biological Chemistry 267(34):24871-24878.
-
(1992)
Journal of Biological Chemistry
, vol.267
, Issue.34
, pp. 24871-24878
-
-
Chen, Y.1
Bal, B.S.2
Gorski, J.P.3
-
29
-
-
0029011701
-
A 2nd generation force-field for the simulation of proteins, nucleic-acids, and organic-molecules
-
Cornell, W.D., P. Cieplak, C.I. Bayly, I.R. Gould, K.M. Merz, D.M. Ferguson, D.C. Spellmeyer, T. Fox, J.W. Caldwell, and P.A. Kollman. 1995. A 2nd generation force-field for the simulation of proteins, nucleic-acids, and organic-molecules. Journal of the American Chemical Society 117(19):5179-5197.
-
(1995)
Journal of the American Chemical Society
, vol.117
, Issue.19
, pp. 5179-5197
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz, K.M.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
30
-
-
63249126633
-
Water adsorption on the stoichiometric (001) and (010) surfaces of hydroxyapatite: A periodic B3LYP study
-
Corno, M., C. Busco, V. Bolis, S. Tosoni, and P. Ugliengo. 2009. Water adsorption on the stoichiometric (001) and (010) surfaces of hydroxyapatite: A periodic B3LYP study. Langmuir 25(4):2188-2198.
-
(2009)
Langmuir
, vol.25
, Issue.4
, pp. 2188-2198
-
-
Corno, M.1
Busco, C.2
Bolis, V.3
Tosoni, S.4
Ugliengo, P.5
-
31
-
-
33646839575
-
Raman spectroscopic evidence for octacalcium phosphate and other transient mineral species deposited during intramembranous mineralization
-
Crane, N.J., V. Popescu, M.D. Morris, P. Steenhuis, and M.A. Ignelzi. 2006. Raman spectroscopic evidence for octacalcium phosphate and other transient mineral species deposited during intramembranous mineralization. Bone 39(3):434-442.
-
(2006)
Bone
, vol.39
, Issue.3
, pp. 434-442
-
-
Crane, N.J.1
Popescu, V.2
Morris, M.D.3
Steenhuis, P.4
Ignelzi, M.A.5
-
32
-
-
30344432407
-
A molecular dynamics study of the thermodynamic properties of calcium apatites. 1. Hexagonal phases
-
Cruz, F.J.A.L., J.N. Canongia Lopes, J.C.G. Calado, and M.E. Minas da Piedade. 2005. A molecular dynamics study of the thermodynamic properties of calcium apatites. 1. Hexagonal phases. Journal of Physical Chemistry B 109:24473-24479.
-
(2005)
Journal of Physical Chemistry B
, vol.109
, pp. 24473-24479
-
-
Cruz, F.J.A.L.1
Canongia Lopes, J.N.2
Calado, J.C.G.3
Minas da Piedade, M.E.4
-
33
-
-
0442326619
-
Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field
-
Cygan, R.T., J.J. Liang, and A.G. Kalinichev. 2004. Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field. Journal of Physical Chemistry B 108(4):1255-1266.
-
(2004)
Journal of Physical Chemistry B
, vol.108
, Issue.4
, pp. 1255-1266
-
-
Cygan, R.T.1
Liang, J.J.2
Kalinichev, A.G.3
-
34
-
-
50649095790
-
Macromolecular modeling with Rosetta
-
Palo Alto, CA: Annual Reviews
-
Das, R. and D. Baker. 2008. Macromolecular modeling with Rosetta. In Annual Review of Biochemistry. Palo Alto, CA: Annual Reviews.
-
(2008)
Annual Review of Biochemistry
-
-
Das, R.1
Baker, D.2
-
35
-
-
0000801009
-
Efficient transition path sampling: Application to Lennard-Jones cluster rearrangements
-
Dellago, C., P.G. Bolhuis, and D. Chandler. 1998a. Efficient transition path sampling: Application to Lennard-Jones cluster rearrangements. Journal of Chemical Physics 108(22):9236-9245.
-
(1998)
Journal of Chemical Physics
, vol.108
, Issue.22
, pp. 9236-9245
-
-
Dellago, C.1
Bolhuis, P.G.2
Chandler, D.3
-
36
-
-
0000729781
-
Transition path sampling and the calculation of rate constants
-
Dellago, C., P.G. Bolhuis, F.S. Csajka, and D. Chandler. 1998b. Transition path sampling and the calculation of rate constants. Journal of Chemical Physics 108(5):1964-1977.
-
(1998)
Journal of Chemical Physics
, vol.108
, Issue.5
, pp. 1964-1977
-
-
Dellago, C.1
Bolhuis, P.G.2
Csajka, F.S.3
Chandler, D.4
-
37
-
-
0842341771
-
The development and use of quantum-mechanical molecularmodels. 76. Am1--A new general-purpose quantum-mechanical molecular-model
-
Dewar, M.J.S., E.G. Zoebisch, E.F. Healy, and J.J.P. Stewart. 1985. The development and use of quantum-mechanical molecularmodels. 76. Am1--A new general-purpose quantum-mechanical molecular-model. Journal of the American Chemical Society 107(13):3902-3909.
-
(1985)
Journal of the American Chemical Society
, vol.107
, Issue.13
, pp. 3902-3909
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healy, E.F.3
Stewart, J.J.P.4
-
38
-
-
48549107734
-
The onset of calcium carbonate nucleation: A density functional theory molecular dynamics and hybrid microsolvation/continuum study
-
Di Tommaso, D. and N.H. de Leeuw. 2008. The onset of calcium carbonate nucleation: A density functional theory molecular dynamics and hybrid microsolvation/continuum study. Journal of Physical Chemistry B 112(23):6965-6975.
-
(2008)
Journal of Physical Chemistry B
, vol.112
, Issue.23
, pp. 6965-6975
-
-
Di Tommaso, D.1
de Leeuw, N.H.2
-
39
-
-
68149125545
-
Theoretical study of the dimerization of calcium carbonate in aqueous solution under natural water conditions
-
Di Tommaso, D. and N.H. de Leeuw. 2009. Theoretical study of the dimerization of calcium carbonate in aqueous solution under natural water conditions. Geochimica et Cosmochimica Acta 73(18):5394-5405.
-
(2009)
Geochimica et Cosmochimica Acta
, vol.73
, Issue.18
, pp. 5394-5405
-
-
Di Tommaso, D.1
de Leeuw, N.H.2
-
40
-
-
84861367246
-
Biomolecular simulation: A computational microscope for molecular biology
-
Palo Alto, CA: Annual Reviews
-
Dror, R.O., R.M. Dirks, J.P. Grossman, H.F. Xu, and D.E. Shaw. 2012. Biomolecular simulation: A computational microscope for molecular biology. In Annual Review of Biophysics, Vol. 41. Palo Alto, CA: Annual Reviews.
-
(2012)
Annual Review of Biophysics
, vol.41
-
-
Dror, R.O.1
Dirks, R.M.2
Grossman, J.P.3
Xu, H.F.4
Shaw, D.E.5
-
41
-
-
18544362060
-
Modeling the properties of selfassembled monolayers terminated by carboxylic acids
-
Duffy, D.M. and J.H. Harding. 2005. Modeling the properties of selfassembled monolayers terminated by carboxylic acids. Langmuir 21(9):3850-3857.
-
(2005)
Langmuir
, vol.21
, Issue.9
, pp. 3850-3857
-
-
Duffy, D.M.1
Harding, J.H.2
-
42
-
-
0037188377
-
Intrinsic disorder and protein function
-
Dunker, A.K., C.J. Brown, J.D. Lawson, L.M. Iakoucheva, and Z. Obradovic. 2002. Intrinsic disorder and protein function. Biochemistry 41(21):6573-6582.
-
(2002)
Biochemistry
, vol.41
, Issue.21
, pp. 6573-6582
-
-
Dunker, A.K.1
Brown, C.J.2
Lawson, J.D.3
Iakoucheva, L.M.4
Obradovic, Z.5
-
43
-
-
0024331915
-
Bone sialoprotein-Ii synthesized by cultured osteoblasts contains tyrosine sulfate
-
Ecarotcharrier, B., F. Bouchard, and C. Delloye. 1989. Bone sialoprotein-Ii synthesized by cultured osteoblasts contains tyrosine sulfate. Journal of Biological Chemistry 264(33):20049-20053.
-
(1989)
Journal of Biological Chemistry
, vol.264
, Issue.33
, pp. 20049-20053
-
-
Ecarotcharrier, B.1
Bouchard, F.2
Delloye, C.3
-
44
-
-
1542779956
-
Self-consistentcharge density-functional tight-binding method for simulations of complex materials properties
-
Elstner, M., D. Porezag, G. Jungnickel, J. Elsner, M. Haugk, T. Frauenheim, S. Suhai, and G. Seifert. 1998. Self-consistentcharge density-functional tight-binding method for simulations of complex materials properties. Physical Review B 58(11):7260-7268.
-
(1998)
Physical Review B
, vol.58
, Issue.11
, pp. 7260-7268
-
-
Elstner, M.1
Porezag, D.2
Jungnickel, G.3
Elsner, J.4
Haugk, M.5
Frauenheim, T.6
Suhai, S.7
Seifert, G.8
-
45
-
-
33644968698
-
Metadynamics as a tool for exploring free energy landscapes of chemical reactions
-
Ensing, B., M. De Vivo, Z.W. Liu, P. Moore, and M.L. Klein. 2006. Metadynamics as a tool for exploring free energy landscapes of chemical reactions. Accounts of Chemical Research 39(2):73-81.
-
(2006)
Accounts of Chemical Research
, vol.39
, Issue.2
, pp. 73-81
-
-
Ensing, B.1
De Vivo, M.2
Liu, Z.W.3
Moore, P.4
Klein, M.L.5
-
47
-
-
84986513644
-
A combined quantummechanical and molecular mechanical potential for moleculardynamics simulations
-
Field, M.J., P.A. Bash, and M. Karplus. 1990. A combined quantummechanical and molecular mechanical potential for moleculardynamics simulations. Journal of Computational Chemistry 11(6):700-733.
-
(1990)
Journal of Computational Chemistry
, vol.11
, Issue.6
, pp. 700-733
-
-
Field, M.J.1
Bash, P.A.2
Karplus, M.3
-
48
-
-
0023176745
-
Purification and partial characterization of small proteoglycan-I and proteoglycan-Ii, bone sialoprotein-I and sialoprotein-Ii, and osteonectin from the mineral compartment of developing humanbone
-
Fisher, L.W., G.R. Hawkins, N. Tuross, and J.D. Termine. 1987. Purification and partial characterization of small proteoglycan-I and proteoglycan-Ii, bone sialoprotein-I and sialoprotein-Ii, and osteonectin from the mineral compartment of developing humanbone. Journal of Biological Chemistry 262(20):9702-9708.
-
(1987)
Journal of Biological Chemistry
, vol.262
, Issue.20
, pp. 9702-9708
-
-
Fisher, L.W.1
Hawkins, G.R.2
Tuross, N.3
Termine, J.D.4
-
49
-
-
0025142349
-
Human-bone sialoprotein-deduced protein-sequence and chromosomal localization
-
Fisher, L.W., O.W. Mcbride, J.D. Termine, and M.F. Young. 1990. Human-bone sialoprotein-deduced protein-sequence and chromosomal localization. Journal of Biological Chemistry 265(4):2347-2351.
-
(1990)
Journal of Biological Chemistry
, vol.265
, Issue.4
, pp. 2347-2351
-
-
Fisher, L.W.1
McBride, O.W.2
Termine, J.D.3
Young, M.F.4
-
50
-
-
0034801338
-
Flexible structures of SIBLING proteins, bone sialoprotein, and osteopontin
-
Fisher, L.W., D.A. Torchia, B. Fohr, M.F. Young, and N.S. Fedarko. 2001. Flexible structures of SIBLING proteins, bone sialoprotein, and osteopontin. Biochemical and Biophysical Research Communications 280(2):460-465.
-
(2001)
Biochemical and Biophysical Research Communications
, vol.280
, Issue.2
, pp. 460-465
-
-
Fisher, L.W.1
Torchia, D.A.2
Fohr, B.3
Young, M.F.4
Fedarko, N.S.5
-
51
-
-
0026793951
-
Rgd -directed attachment of isolated rat osteoclasts to osteopontin, bone sialoprotein, and fibronectin
-
Flores, M.E., M. Norgard, D. Heinegard, F.P. Reinholt, and G. Andersson. 1992. Rgd -directed attachment of isolated rat osteoclasts to osteopontin, bone sialoprotein, and fibronectin. Experimental Cell Research 201(2):526-530.
-
(1992)
Experimental Cell Research
, vol.201
, Issue.2
, pp. 526-530
-
-
Flores, M.E.1
Norgard, M.2
Heinegard, D.3
Reinholt, F.P.4
Andersson, G.5
-
52
-
-
0022354869
-
Isolation and characterization of 2 sialoproteins present only in bone calcified matrix
-
Franzen, A. and D. Heinegard. 1985. Isolation and characterization of 2 sialoproteins present only in bone calcified matrix. Biochemical Journal 232(3):715-724.
-
(1985)
Biochemical Journal
, vol.232
, Issue.3
, pp. 715-724
-
-
Franzen, A.1
Heinegard, D.2
-
53
-
-
33644848399
-
Molecular dynamics simulations of the complete satellite tobacco mosaic virus
-
Freddolino, P.L., A.S. Arkhipov, S.B. Larson, A. McPherson, and K. Schulten. 2006. Molecular dynamics simulations of the complete satellite tobacco mosaic virus. Structure 14(3):437-449.
-
(2006)
Structure
, vol.14
, Issue.3
, pp. 437-449
-
-
Freddolino, P.L.1
Arkhipov, A.S.2
Larson, S.B.3
McPherson, A.4
Schulten, K.5
-
54
-
-
77957572546
-
Challenges in protein-folding simulations
-
Freddolino, P.L., C.B. Harrison, Y.X. Liu, and K. Schulten. 2010. Challenges in protein-folding simulations. Nature Physics 6(10):751-758.
-
(2010)
Nature Physics
, vol.6
, Issue.10
, pp. 751-758
-
-
Freddolino, P.L.1
Harrison, C.B.2
Liu, Y.X.3
Schulten, K.4
-
55
-
-
43849093505
-
Tenmicrosecond molecular dynamics simulation of a fast-folding WW domain
-
Freddolino, P.L., F. Liu, M. Gruebele, and K. Schulten. 2008. Tenmicrosecond molecular dynamics simulation of a fast-folding WW domain. Biophysical Journal 94(10):L75-L77.
-
(2008)
Biophysical Journal
, vol.94
, Issue.10
, pp. L75-L77
-
-
Freddolino, P.L.1
Liu, F.2
Gruebele, M.3
Schulten, K.4
-
56
-
-
67650359927
-
Force field bias in protein folding simulations
-
Freddolino, P.L., S. Park, B. Roux, and K. Schulten. 2009. Force field bias in protein folding simulations. Biophysical Journal 96(9):3772-3780.
-
(2009)
Biophysical Journal
, vol.96
, Issue.9
, pp. 3772-3780
-
-
Freddolino, P.L.1
Park, S.2
Roux, B.3
Schulten, K.4
-
57
-
-
70349778502
-
Common structural transitions in explicit-solvent simulations of villin headpiece folding
-
Freddolino, P.L. and K. Schulten. 2009. Common structural transitions in explicit-solvent simulations of villin headpiece folding. Biophysical Journal 97(8):2338-2347.
-
(2009)
Biophysical Journal
, vol.97
, Issue.8
, pp. 2338-2347
-
-
Freddolino, P.L.1
Schulten, K.2
-
58
-
-
34548265827
-
New forcefields for modeling biomineralization processes
-
Freeman, C.L., J.H. Harding, D.J. Cooke, J.A. Elliott, J.S. Lardge, and D.M. Duffy. 2007. New forcefields for modeling biomineralization processes. Journal of Physical Chemistry C 111(32):11943-11951.
-
(2007)
Journal of Physical Chemistry C
, vol.111
, Issue.32
, pp. 11943-11951
-
-
Freeman, C.L.1
Harding, J.H.2
Cooke, D.J.3
Elliott, J.A.4
Lardge, J.S.5
Duffy, D.M.6
-
60
-
-
21244497608
-
Ab initio quantum chemical and mixed quantum mechanics/molecular mechanics (QM/MM) methods for studying enzymatic catalysis
-
Palo Alto, CA: Annual Reviews
-
Friesner, R.A. and V. Guallar. 2005. Ab initio quantum chemical and mixed quantum mechanics/molecular mechanics (QM/MM) methods for studying enzymatic catalysis. In Annual Review of Physical Chemistry. Palo Alto, CA: Annual Reviews.
-
(2005)
Annual Review of Physical Chemistry
-
-
Friesner, R.A.1
Guallar, V.2
-
63
-
-
33748584863
-
Mechanisms and free energies of enzymatic reactions
-
Gao, J.L., S.H. Ma, D.T. Major, K. Nam, J.Z. Pu, and D.G. Truhlar. 2006. Mechanisms and free energies of enzymatic reactions. Chemical Reviews 106(8):3188-3209.
-
(2006)
Chemical Reviews
, vol.106
, Issue.8
, pp. 3188-3209
-
-
Gao, J.L.1
Ma, S.H.2
Major, D.T.3
Nam, K.4
Pu, J.Z.5
Truhlar, D.G.6
-
64
-
-
0035865992
-
Exploring the energy landscape of a beta hairpin in explicit solvent
-
Garcia, A.E. and K.Y. Sanbonmatsu. 2001. Exploring the energy landscape of a beta hairpin in explicit solvent. Proteins-Structure Function and Genetics 42(3):345-354.
-
(2001)
Proteins-Structure Function and Genetics
, vol.42
, Issue.3
, pp. 345-354
-
-
Garcia, A.E.1
Sanbonmatsu, K.Y.2
-
65
-
-
57349158632
-
Phosphorylated proteins and control over apatite nucleation, crystal growth, and inhibition
-
George, A. and A. Veis. 2008. Phosphorylated proteins and control over apatite nucleation, crystal growth, and inhibition. Chemical Reviews 108(11):4670-4693.
-
(2008)
Chemical Reviews
, vol.108
, Issue.11
, pp. 4670-4693
-
-
George, A.1
Veis, A.2
-
66
-
-
0031058541
-
The statistical-thermodynamic basis for computation of binding affinities: A critical review
-
Gilson, M.K., J.A. Given, B.L. Bush, and J.A. McCammon. 1997. The statistical-thermodynamic basis for computation of binding affinities: A critical review. Biophysical Journal 72(3):1047-1069.
-
(1997)
Biophysical Journal
, vol.72
, Issue.3
, pp. 1047-1069
-
-
Gilson, M.K.1
Given, J.A.2
Bush, B.L.3
McCammon, J.A.4
-
67
-
-
0021532955
-
Recent studies of the mineral phase in bone and its possible linkage to the organic matrix by protein-bound phosphate bonds
-
Glimcher, M.J. 1984. Recent studies of the mineral phase in bone and its possible linkage to the organic matrix by protein-bound phosphate bonds. Philosophical Transactions of the Royal Society of London Series B-Biological Sciences 304(1121):479-508.
-
(1984)
Philosophical Transactions of the Royal Society of London Series B-Biological Sciences
, vol.304
, Issue.1121
, pp. 479-508
-
-
Glimcher, M.J.1
-
68
-
-
33845972288
-
Bone: Nature of the calcium phosphate crystals and cellular, structural, and physical chemical mechanisms of their formation
-
N. Sahai, M.A.A. Schoonen (eds)
-
Glimcher, M.J. 2006. Bone: Nature of the calcium phosphate crystals and cellular, structural, and physical chemical mechanisms of their formation. In Medical Mineralogy and Geochemistry, Reviews in Mineralogy and Geochemistry, Vol. 64, N. Sahai, M.A.A. Schoonen (eds), pp 223-282.
-
(2006)
Medical Mineralogy and Geochemistry, Reviews in Mineralogy and Geochemistry
, vol.64
, pp. 223-282
-
-
Glimcher, M.J.1
-
69
-
-
79955645961
-
Nucleation of hydroxyapatite by bone sialoprotein: Role of glutamate-rich sequences
-
Goldberg, H.A. and G.K. Hunter. 1994. Nucleation of hydroxyapatite by bone sialoprotein: Role of glutamate-rich sequences. Journal of Dental Research 73:282-282.
-
(1994)
Journal of Dental Research
, vol.73
, pp. 282
-
-
Goldberg, H.A.1
Hunter, G.K.2
-
70
-
-
0030431857
-
Determination of the hydroxyapatite-nucleating region of bone sialoprotein
-
Goldberg, H.A., K.J. Warner, M.J. Stillman, and G.K. Hunter. 1996. Determination of the hydroxyapatite-nucleating region of bone sialoprotein. Connective Tissue Research 35(1-4):385-392.
-
(1996)
Connective Tissue Research
, vol.35
, Issue.1-4
, pp. 385-392
-
-
Goldberg, H.A.1
Warner, K.J.2
Stillman, M.J.3
Hunter, G.K.4
-
72
-
-
0037560726
-
Mollusk shell acidic proteins: In search of individual functions
-
Gotliv, B.A., L. Addadi, and S. Weiner. 2003. Mollusk shell acidic proteins: In search of individual functions. Chembiochem 4(6):522-529.
-
(2003)
Chembiochem
, vol.4
, Issue.6
, pp. 522-529
-
-
Gotliv, B.A.1
Addadi, L.2
Weiner, S.3
-
73
-
-
1342302795
-
The interaction of proteins with solid surfaces
-
Gray, J.J. 2004. The interaction of proteins with solid surfaces. Current Opinion in Structural Biology 14(1):110-115.
-
(2004)
Current Opinion in Structural Biology
, vol.14
, Issue.1
, pp. 110-115
-
-
Gray, J.J.1
-
74
-
-
36749072714
-
Computational and spectroscopic studies of dichlorofluoroethane hydrate structure and stability
-
Greathouse, J.A. and R.T. Cygan. 2007. Computational and spectroscopic studies of dichlorofluoroethane hydrate structure and stability. Journal of Physical Chemistry C 111(45):16787-16795.
-
(2007)
Journal of Physical Chemistry C
, vol.111
, Issue.45
, pp. 16787-16795
-
-
Greathouse, J.A.1
Cygan, R.T.2
-
75
-
-
34347262999
-
Transient precursor strategy or very small biological apatite crystals?
-
Grynpas, M.D. 2007. Transient precursor strategy or very small biological apatite crystals? Bone 41(2):162-164.
-
(2007)
Bone
, vol.41
, Issue.2
, pp. 162-164
-
-
Grynpas, M.D.1
-
76
-
-
33644885266
-
The challenge of biominerals to simulations
-
Harding, J.H. and D.M. Duffy. 2006. The challenge of biominerals to simulations. Journal of Materials Chemistry 16(12):1105-1112.
-
(2006)
Journal of Materials Chemistry
, vol.16
, Issue.12
, pp. 1105-1112
-
-
Harding, J.H.1
Duffy, D.M.2
-
77
-
-
57349101729
-
Computational techniques at the organic-inorganic interface in biomineralization
-
Harding, J.H., D.M. Duffy, M.L. Sushko, P.M. Rodger, D. Quigley, and J.A. Elliott. 2008. Computational techniques at the organic-inorganic interface in biomineralization. Chemical Reviews 108(11):4823-4854.
-
(2008)
Chemical Reviews
, vol.108
, Issue.11
, pp. 4823-4854
-
-
Harding, J.H.1
Duffy, D.M.2
Sushko, M.L.3
Rodger, P.M.4
Quigley, D.5
Elliott, J.A.6
-
78
-
-
0037252789
-
Potential energy function for apatites
-
Hauptmann, S., H. Dufner, J. Brickmann, S.M. Kast, and R.S. Berry. 2003. Potential energy function for apatites. Physical Chemistry Chemical Physics 5(3):635-639.
-
(2003)
Physical Chemistry Chemical Physics
, vol.5
, Issue.3
, pp. 635-639
-
-
Hauptmann, S.1
Dufner, H.2
Brickmann, J.3
Kast, S.M.4
Berry, R.S.5
-
79
-
-
84873669486
-
Thermodynamically consistent force fields for the assembly of inorganic, organic, and biological nanostructures: The INTERFACE force field
-
Heinz, H., T.J. Lin, R.K. Mishra, and F.S. Emami. 2013. Thermodynamically consistent force fields for the assembly of inorganic, organic, and biological nanostructures: The INTERFACE force field. Langmuir 29(6):1754-1765.
-
(2013)
Langmuir
, vol.29
, Issue.6
, pp. 1754-1765
-
-
Heinz, H.1
Lin, T.J.2
Mishra, R.K.3
Emami, F.S.4
-
80
-
-
0242499504
-
Bone recognition mechanism of porcine osteocalcin from crystal structure
-
Hoang, Q.Q., F. Sicheri, A.J. Howard, and D.S.C. Yang. 2003. Bone recognition mechanism of porcine osteocalcin from crystal structure. Nature 425(6961):977-980.
-
(2003)
Nature
, vol.425
, Issue.6961
, pp. 977-980
-
-
Hoang, Q.Q.1
Sicheri, F.2
Howard, A.J.3
Yang, D.S.C.4
-
81
-
-
43949083733
-
Free energies of chemical reactions in solution and in enzymes with ab initio quantum mechanics/molecular mechanics methods
-
Hu, H. and W.T. Yang. 2008. Free energies of chemical reactions in solution and in enzymes with ab initio quantum mechanics/molecular mechanics methods. In Annual Review of Physical Chemistry 59:573-601.
-
(2008)
Annual Review of Physical Chemistry
, vol.59
, pp. 573-601
-
-
Hu, H.1
Yang, W.T.2
-
83
-
-
79551587539
-
Ab initio simulations of peptide-mineral interactions
-
Hug, S., G.K. Hunter, H.A. Goldberg, and M. Karttunen. 2010. Ab initio simulations of peptide-mineral interactions. Physics Procedia 4:51-60.
-
(2010)
Physics Procedia
, vol.4
, pp. 51-60
-
-
Hug, S.1
Hunter, G.K.2
Goldberg, H.A.3
Karttunen, M.4
-
84
-
-
0028256297
-
Distribution and synthesis of bone sialoprotein in metaphyseal bone of young-rats show a distinctly different pattern from that of osteopontin
-
Hultenby, K., F.P. Reinholt, M. Norgard, A. Oldberg, M. Wendel, and D. Heinegard. 1994. Distribution and synthesis of bone sialoprotein in metaphyseal bone of young-rats show a distinctly different pattern from that of osteopontin. European Journal of Cell Biology 63(2):230-239.
-
(1994)
European Journal of Cell Biology
, vol.63
, Issue.2
, pp. 230-239
-
-
Hultenby, K.1
Reinholt, F.P.2
Norgard, M.3
Oldberg, A.4
Wendel, M.5
Heinegard, D.6
-
87
-
-
0028129454
-
Modulation of crystal-formation by bone phosphoproteins-Role of glutamic acid-rich sequences in the nucleation of hydroxyapatite by bone sialoprotein
-
Hunter, G.K. and H.A. Goldberg. 1994. Modulation of crystal-formation by bone phosphoproteins-Role of glutamic acid-rich sequences in the nucleation of hydroxyapatite by bone sialoprotein. Biochemical Journal 302:175-179.
-
(1994)
Biochemical Journal
, vol.302
, pp. 175-179
-
-
Hunter, G.K.1
Goldberg, H.A.2
-
88
-
-
0242322528
-
An implicit membrane generalized born theory for the study of structure, stability, and interactions of membrane proteins
-
Im, W., M. Feig, and C.L. Brooks. 2003. An implicit membrane generalized born theory for the study of structure, stability, and interactions of membrane proteins. Biophysical Journal 85(5):2900-2918.
-
(2003)
Biophysical Journal
, vol.85
, Issue.5
, pp. 2900-2918
-
-
Im, W.1
Feig, M.2
Brooks, C.L.3
-
89
-
-
85137453386
-
Progress of structural elucidation of amorphous calcium phosphate (ACP) and hydroxyapatite (HAp): Disorder and surfaces as seen by solid state NMR
-
Pts 1 and 2
-
Jaeger, C., S. Maltsev, and A. Karrasch. 2006. Progress of structural elucidation of amorphous calcium phosphate (ACP) and hydroxyapatite (HAp): Disorder and surfaces as seen by solid state NMR. Bioceramics 18, Pts 1 and 2(309-311):69-72.
-
(2006)
Bioceramics
, vol.18
, Issue.309-311
, pp. 69-72
-
-
Jaeger, C.1
Maltsev, S.2
Karrasch, A.3
-
90
-
-
1642357706
-
The many roles of computation in drug discovery
-
Jorgensen, W.L. 2004. The many roles of computation in drug discovery. Science 303(5665):1813-1818.
-
(2004)
Science
, vol.303
, Issue.5665
, pp. 1813-1818
-
-
Jorgensen, W.L.1
-
91
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen, W.L., J. Chandrasekhar, J.D. Madura, R.W. Impey, and M.L. Klein. 1983. Comparison of simple potential functions for simulating liquid water. Journal of Chemical Physics 79:926-935.
-
(1983)
Journal of Chemical Physics
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
92
-
-
0029912748
-
Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids
-
Jorgensen, W.L., D.S. Maxwell, and J. Tirado-Rives. 1996. Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids. Journal of the American Chemical Society 118(45):11225-11236.
-
(1996)
Journal of the American Chemical Society
, vol.118
, Issue.45
, pp. 11225-11236
-
-
Jorgensen, W.L.1
Maxwell, D.S.2
Tirado-Rives, J.3
-
93
-
-
33645941402
-
The Opls potential functions for proteins-Energy minimizations for crystals of cyclicpeptides and crambin
-
Jorgensen, W.L. and J. Tirado-Rives. 1988. The Opls potential functions for proteins-Energy minimizations for crystals of cyclicpeptides and crambin. Journal of the American Chemical Society 110(6):1657-1666.
-
(1988)
Journal of the American Chemical Society
, vol.110
, Issue.6
, pp. 1657-1666
-
-
Jorgensen, W.L.1
Tirado-Rives, J.2
-
95
-
-
0036725277
-
Molecular dynamics simulations of biomolecules
-
Karplus, M. and J.A. McCammon. 2002. Molecular dynamics simulations of biomolecules. Nature Structural Biology 9(9):646-652.
-
(2002)
Nature Structural Biology
, vol.9
, Issue.9
, pp. 646-652
-
-
Karplus, M.1
McCammon, J.A.2
-
96
-
-
0026787956
-
Temporal studies on the tissue compartmentalization of bone sialoprotein (Bsp), osteopontin (Opn), and sparc protein during bone-formation in vitro
-
Kasugai, S., T. Nagata, and J. Sodek. 1992. Temporal studies on the tissue compartmentalization of bone sialoprotein (Bsp), osteopontin (Opn), and sparc protein during bone-formation in vitro. Journal of Cellular Physiology 152(3):467-477.
-
(1992)
Journal of Cellular Physiology
, vol.152
, Issue.3
, pp. 467-477
-
-
Kasugai, S.1
Nagata, T.2
Sodek, J.3
-
97
-
-
73249138538
-
Mechanism of calcite Co-orientation in the sea urchin tooth
-
Killian, C.E., R.A. Metzler, Y.U.T. Gong, I.C. Olson, J. Aizenberg, Y. Politi, F.H. Wilt et al. 2009. Mechanism of calcite Co-orientation in the sea urchin tooth. Journal of the American Chemical Society 131(51):18404-18409.
-
(2009)
Journal of the American Chemical Society
, vol.131
, Issue.51
, pp. 18404-18409
-
-
Killian, C.E.1
Metzler, R.A.2
Gong, Y.U.T.3
Olson, I.C.4
Aizenberg, J.5
Politi, Y.6
Wilt, F.H.7
-
98
-
-
3242887695
-
Protein structure prediction and analysis using the Robetta server
-
Kim, D.E., D. Chivian, and D. Baker. 2004. Protein structure prediction and analysis using the Robetta server. Nucleic Acids Research 32:W526-W531.
-
(2004)
Nucleic Acids Research
, vol.32
, pp. W526-W531
-
-
Kim, D.E.1
Chivian, D.2
Baker, D.3
-
99
-
-
8844263008
-
Docking and scoring in virtual screening for drug discovery: Methods and applications
-
Kitchen, D.B., H. Decornez, J.R. Furr, and J. Bajorath. 2004. Docking and scoring in virtual screening for drug discovery: Methods and applications. Nature Reviews Drug Discovery 3(11):935-949.
-
(2004)
Nature Reviews Drug Discovery
, vol.3
, Issue.11
, pp. 935-949
-
-
Kitchen, D.B.1
Decornez, H.2
Furr, J.R.3
Bajorath, J.4
-
100
-
-
0032032089
-
Collagen cross-links in mineralizing tissues: A review of their chemistry, function, and clinical relevance
-
Knott, L. and A.J. Bailey. 1998. Collagen cross-links in mineralizing tissues: A review of their chemistry, function, and clinical relevance. Bone 22(3):181-187.
-
(1998)
Bone
, vol.22
, Issue.3
, pp. 181-187
-
-
Knott, L.1
Bailey, A.J.2
-
101
-
-
84986519238
-
The weighted histogram analysis method for free-energy calculations on biomolecules. I. The method
-
Kumar, S., J.M. Rosenberg, D. Bouzida, R.H. Swendsen, and P.A. Kollman. 1992. The weighted histogram analysis method for free-energy calculations on biomolecules. I. The method. Journal of Computational Chemistry 13(8):1011-1021.
-
(1992)
Journal of Computational Chemistry
, vol.13
, Issue.8
, pp. 1011-1021
-
-
Kumar, S.1
Rosenberg, J.M.2
Bouzida, D.3
Swendsen, R.H.4
Kollman, P.A.5
-
102
-
-
58149299971
-
Metadynamics: A method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science
-
Laio, A. and F.L. Gervasio. 2008. Metadynamics: A method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science. Reports on Progress in Physics 71(12).
-
(2008)
Reports on Progress in Physics
, vol.71
, Issue.12
-
-
Laio, A.1
Gervasio, F.L.2
-
107
-
-
66249119965
-
Molecular simulation of protein-surface interactions: Benefits, problems, solutions, and future directions
-
Latour, R.A. 2008. Molecular simulation of protein-surface interactions:Benefits, problems, solutions, and future directions. Biointerphases 3(3):Fc2-Fc12.
-
(2008)
Biointerphases
, vol.3
, Issue.3
, pp. Fc2-Fc12
-
-
Latour, R.A.1
-
109
-
-
70349779536
-
Discovery through the computational microscope
-
Lee, E.H., J. Hsin, M. Sotomayor, G. Comellas, and K. Schulten. 2009. Discovery through the computational microscope. Structure 17(10):1295-1306.
-
(2009)
Structure
, vol.17
, Issue.10
, pp. 1295-1306
-
-
Lee, E.H.1
Hsin, J.2
Sotomayor, M.3
Comellas, G.4
Schulten, K.5
-
110
-
-
0035951086
-
Structure and dynamics of hydrated statherin on hydroxyapatite as determined by solid-state NMR
-
Long, J.R., W.J. Shaw, P.S. Stayton, and G.P. Drobny. 2001. Structure and dynamics of hydrated statherin on hydroxyapatite as determined by solid-state NMR. Biochemistry 40(51):15451-15455.
-
(2001)
Biochemistry
, vol.40
, Issue.51
, pp. 15451-15455
-
-
Long, J.R.1
Shaw, W.J.2
Stayton, P.S.3
Drobny, G.P.4
-
111
-
-
0022230939
-
Transformation of amorphous calcium-phosphate to crystalline dahllite in the radular teeth of chitons
-
Lowenstam, H.A. and S. Weiner. 1985. Transformation of amorphous calcium-phosphate to crystalline dahllite in the radular teeth of chitons. Science 227(4682):51-53.
-
(1985)
Science
, vol.227
, Issue.4682
, pp. 51-53
-
-
Lowenstam, H.A.1
Weiner, S.2
-
112
-
-
0041784950
-
All-atom empirical potential for molecular modeling and dynamics studies of proteins
-
MacKerell, A.D., D. Bashford, M. Bellott, R.L. Dunbrack, J.D. Evanseck, M.J. Field, S. Fischer et al. 1998. All-atom empirical potential for molecular modeling and dynamics studies of proteins. Journal of Physical Chemistry B 102(18):3586-3616.
-
(1998)
Journal of Physical Chemistry B
, vol.102
, Issue.18
, pp. 3586-3616
-
-
MacKerell, A.D.1
Bashford, D.2
Bellott, M.3
Dunbrack, R.L.4
Evanseck, J.D.5
Field, M.J.6
Fischer, S.7
-
113
-
-
51349126458
-
Amorphous calcium phosphate is a major component of the forming fin bones of zebrafish: Indications for an amorphous precursor phase
-
Mahamid, J., A. Sharir, L. Addadi, and S. Weiner. 2008. Amorphous calcium phosphate is a major component of the forming fin bones of zebrafish: Indications for an amorphous precursor phase. Proceedings of the National Academy of Sciences of the United States of America 105(35):12748-12753.
-
(2008)
Proceedings of the National Academy of Sciences of the United States of America
, vol.105
, Issue.35
, pp. 12748-12753
-
-
Mahamid, J.1
Sharir, A.2
Addadi, L.3
Weiner, S.4
-
114
-
-
35948969909
-
Structure prediction of protein-solid surface interactions reveals a molecular recognition motif of statherin for hydroxyapatite
-
Makrodimitris, K., D.L. Masica, E.T. Kim, and J.J. Gray. 2007. Structure prediction of protein-solid surface interactions reveals a molecular recognition motif of statherin for hydroxyapatite. Journal of the American Chemical Society 129(44):13713-13722.
-
(2007)
Journal of the American Chemical Society
, vol.129
, Issue.44
, pp. 13713-13722
-
-
Makrodimitris, K.1
Masica, D.L.2
Kim, E.T.3
Gray, J.J.4
-
116
-
-
67649391385
-
Solution-and adsorbed-state structural ensembles predicted for the statherin-hydroxyapatite system
-
Masica, D.L. and J.J. Gray. 2009. Solution-and adsorbed-state structural ensembles predicted for the statherin-hydroxyapatite system. Biophysical Journal 96(8):3082-3091.
-
(2009)
Biophysical Journal
, vol.96
, Issue.8
, pp. 3082-3091
-
-
Masica, D.L.1
Gray, J.J.2
-
117
-
-
77956246697
-
De novo design of peptide-calcite biomineralization systems
-
Masica, D.L., S.B. Schrier, E.A. Specht, and J.J. Gray. 2010. De novo design of peptide-calcite biomineralization systems. Journal of the American Chemical Society 132(35):12252-12262.
-
(2010)
Journal of the American Chemical Society
, vol.132
, Issue.35
, pp. 12252-12262
-
-
Masica, D.L.1
Schrier, S.B.2
Specht, E.A.3
Gray, J.J.4
-
118
-
-
0017776823
-
Dynamics of folded proteins
-
McCammon, J.A., B.R. Gelin, and M. Karplus. 1977. Dynamics of folded proteins. Nature 267(5612):585-590.
-
(1977)
Nature
, vol.267
, Issue.5612
, pp. 585-590
-
-
McCammon, J.A.1
Gelin, B.R.2
Karplus, M.3
-
121
-
-
77957859796
-
Intrinsically disordered mollusk shell prismatic protein that modulates calcium carbonate crystal growth
-
Ndao, M., E. Keene, F.F. Amos, G. Rewari, C.B. Ponce, L. Estroff, and J.S. Evans. 2010. Intrinsically disordered mollusk shell prismatic protein that modulates calcium carbonate crystal growth. Biomacromolecules 11(10):2539-2544.
-
(2010)
Biomacromolecules
, vol.11
, Issue.10
, pp. 2539-2544
-
-
Ndao, M.1
Keene, E.2
Amos, F.F.3
Rewari, G.4
Ponce, C.B.5
Estroff, L.6
Evans, J.S.7
-
122
-
-
0024205347
-
The primary structure of a cell-binding bone sialoprotein
-
Oldberg, A., A. Franzen, and D. Heinegard. 1988. The primary structure of a cell-binding bone sialoprotein. Journal of Biological Chemistry 263(36):19430-19432.
-
(1988)
Journal of Biological Chemistry
, vol.263
, Issue.36
, pp. 19430-19432
-
-
Oldberg, A.1
Franzen, A.2
Heinegard, D.3
-
123
-
-
34548072299
-
Adsorption processes of Gly and Glu amino acids on hydroxyapatite surfaces at the atomic level
-
Pan, H.H., J.H. Tao, X.R. Xu, and R.K. Tang. 2007. Adsorption processes of Gly and Glu amino acids on hydroxyapatite surfaces at the atomic level. Langmuir 23(17):8972-8981.
-
(2007)
Langmuir
, vol.23
, Issue.17
, pp. 8972-8981
-
-
Pan, H.H.1
Tao, J.H.2
Xu, X.R.3
Tang, R.K.4
-
124
-
-
33846406030
-
Role of water in the surface relaxation of the fluorapatite (100) surface by grazing incidence x-ray diffraction
-
Pareek, A., X. Torrelles, J. Rius, U. Magdans, and H. Gies. 2007. Role of water in the surface relaxation of the fluorapatite (100) surface by grazing incidence x-ray diffraction. Physical Review B 75(3):035418.
-
(2007)
Physical Review B
, vol.75
, Issue.3
, pp. 035418
-
-
Pareek, A.1
Torrelles, X.2
Rius, J.3
Magdans, U.4
Gies, H.5
-
125
-
-
11144325709
-
Structure of the fluorapatite (100)--Water interface by high resolution x-ray reflectivity
-
Park, C., P. Fenter, Z. Zhang, L. Cheng, and N.C. Sturchio. 2002. Structure of the fluorapatite (100)--Water interface by high resolution x-ray reflectivity. American Geophysical Union, Fall Meeting Abstracts 89:1647-1654.
-
(2002)
American Geophysical Union, Fall Meeting Abstracts
, vol.89
, pp. 1647-1654
-
-
Park, C.1
Fenter, P.2
Zhang, Z.3
Cheng, L.4
Sturchio, N.C.5
-
127
-
-
8544262963
-
Sea urchin spine calcite forms via a transient amorphous calcium carbonate phase
-
Politi, Y., T. Arad, E. Klein, S. Weiner, and L. Addadi. 2004. Sea urchin spine calcite forms via a transient amorphous calcium carbonate phase. Science 306(5699):1161-1164.
-
(2004)
Science
, vol.306
, Issue.5699
, pp. 1161-1164
-
-
Politi, Y.1
Arad, T.2
Klein, E.3
Weiner, S.4
Addadi, L.5
-
128
-
-
33745888712
-
Structural characterization of the transient amorphous calcium carbonate precursor phase in sea urchin embryos
-
Politi, Y., Y. Levi-Kalisman, S. Raz, F. Wilt, L. Addadi, S. Weiner, and I. Sagi. 2006. Structural characterization of the transient amorphous calcium carbonate precursor phase in sea urchin embryos. Advanced Functional Materials 16(10):1289-1298.
-
(2006)
Advanced Functional Materials
, vol.16
, Issue.10
, pp. 1289-1298
-
-
Politi, Y.1
Levi-Kalisman, Y.2
Raz, S.3
Wilt, F.4
Addadi, L.5
Weiner, S.6
Sagi, I.7
-
129
-
-
56249107725
-
Transformation mechanism of amorphous calcium carbonate into calcite in the sea urchin larval spicule
-
Politi, Y., R.A. Metzler, M. Abrecht, B. Gilbert, F.H. Wilt, I. Sagi, L. Addadi, S. Weiner, and P. Gilbert. 2008. Transformation mechanism of amorphous calcium carbonate into calcite in the sea urchin larval spicule. Proceedings of the National Academy of Sciences of the United States of America 105(45):17362-17366.
-
(2008)
Proceedings of the National Academy of Sciences of the United States of America
, vol.105
, Issue.45
, pp. 17362-17366
-
-
Politi, Y.1
Metzler, R.A.2
Abrecht, M.3
Gilbert, B.4
Wilt, F.H.5
Sagi, I.6
Addadi, L.7
Weiner, S.8
Gilbert, P.9
-
130
-
-
67650559446
-
Mineralization by inhibitor exclusion the calcification of collagen with fetuin
-
Price, P.A., D. Toroian, and J.E. Lim. 2009. Mineralization by inhibitor exclusion the calcification of collagen with fetuin. Journal of Biological Chemistry 284(25):17092-17101.
-
(2009)
Journal of Biological Chemistry
, vol.284
, Issue.25
, pp. 17092-17101
-
-
Price, P.A.1
Toroian, D.2
Lim, J.E.3
-
131
-
-
12044254336
-
Adsorption of proteins onto surfaces containing end-attached oligo(ethylene oxide)--A model system using self-assembled monolayers
-
Prime, K.L. and G.M. Whitesides. 1993. Adsorption of proteins onto surfaces containing end-attached oligo(ethylene oxide)--A model system using self-assembled monolayers. Journal of the American Chemical Society 115(23):10714-10721.
-
(1993)
Journal of the American Chemical Society
, vol.115
, Issue.23
, pp. 10714-10721
-
-
Prime, K.L.1
Whitesides, G.M.2
-
132
-
-
77950558313
-
Derivation of an accurate force-field for simulating the growth of calcium carbonate from aqueous solution: A new model for the calcite-water interface
-
Raiteri, P., J.D. Gale, D. Quigley, and P.M. Rodger. 2010. Derivation of an accurate force-field for simulating the growth of calcium carbonate from aqueous solution: A new model for the calcite-water interface. Journal of Physical Chemistry C 114(13):5997-6010.
-
(2010)
Journal of Physical Chemistry C
, vol.114
, Issue.13
, pp. 5997-6010
-
-
Raiteri, P.1
Gale, J.D.2
Quigley, D.3
Rodger, P.M.4
-
133
-
-
14044276162
-
Molecular dynamics simulations of peptide-surface interactions
-
Raut, V.P., M.A. Agashe, S.J. Stuart, and R.A. Latour. 2005. Molecular dynamics simulations of peptide-surface interactions. Langmuir 21(4):1629-1639.
-
(2005)
Langmuir
, vol.21
, Issue.4
, pp. 1629-1639
-
-
Raut, V.P.1
Agashe, M.A.2
Stuart, S.J.3
Latour, R.A.4
-
134
-
-
0025309155
-
Resolutionenhanced Fourier-transform infrared-spectroscopy study of the environment of phosphate ions in the early deposits of a solid-phase of calcium-phosphate in bone and enamel, and their evolution with age.1. Investigations in the V4 Po4 domain
-
Rey, C., M. Shimizu, B. Collins, and M.J. Glimcher. 1990. Resolutionenhanced Fourier-transform infrared-spectroscopy study of the environment of phosphate ions in the early deposits of a solid-phase of calcium-phosphate in bone and enamel, and their evolution with age.1. Investigations in the V4 Po4 domain. Calcified Tissue International 46(6):384-394.
-
(1990)
Calcified Tissue International
, vol.46
, Issue.6
, pp. 384-394
-
-
Rey, C.1
Shimizu, M.2
Collins, B.3
Glimcher, M.J.4
-
135
-
-
0026355908
-
Resolutionenhanced Fourier-transform infrared-spectroscopy study of the environment of phosphate ion in the early deposits of a solid-phase of calcium-phosphate in bone and enamel and their evolution with age. 2. Investigations in the Nu-3 Po4 domain
-
Rey, C., M. Shimizu, B. Collins, and M.J. Glimcher. 1991. Resolutionenhanced Fourier-transform infrared-spectroscopy study of the environment of phosphate ion in the early deposits of a solid-phase of calcium-phosphate in bone and enamel and their evolution with age. 2. Investigations in the Nu-3 Po4 domain. Calcified Tissue International 49(6):383-388.
-
(1991)
Calcified Tissue International
, vol.49
, Issue.6
, pp. 383-388
-
-
Rey, C.1
Shimizu, M.2
Collins, B.3
Glimcher, M.J.4
-
136
-
-
33646356998
-
Development of effective quantum mechanical/molecular mechanical (QM/MM) methods for complex biological processes
-
Riccardi, D., P. Schaefer, Y. Yang, H.B. Yu, N. Ghosh, X. Prat-Resina, P. Konig, G.H. Li, D.G. Xu, H. Guo, M. Elstner, and Q. Cui. 2006. Development of effective quantum mechanical/molecular mechanical (QM/MM) methods for complex biological processes. Journal of Physical Chemistry B 110(13):6458-6469.
-
(2006)
Journal of Physical Chemistry B
, vol.110
, Issue.13
, pp. 6458-6469
-
-
Riccardi, D.1
Schaefer, P.2
Yang, Y.3
Yu, H.B.4
Ghosh, N.5
Prat-Resina, X.6
Konig, P.7
Li, G.H.8
Xu, D.G.9
Guo, H.10
Elstner, M.11
Cui, Q.12
-
137
-
-
0031593496
-
Vis-a-vis cells and the priming of bone formation
-
Riminucci, M., J.N. Bradbeer, A. Corsi, C. Gentili, F. Descalzi, R. Cancedda, and P. Bianco. 1998. Vis-a-vis cells and the priming of bone formation. Journal of Bone and Mineral Research 13(12):1852-1861.
-
(1998)
Journal of Bone and Mineral Research
, vol.13
, Issue.12
, pp. 1852-1861
-
-
Riminucci, M.1
Bradbeer, J.N.2
Corsi, A.3
Gentili, C.4
Descalzi, F.5
Cancedda, R.6
Bianco, P.7
-
138
-
-
0028061083
-
Why does bone-matrix contain noncollagenous proteins-The possible roles of osteocalcin, osteonectin, osteopontin and bone sialoprotein in bone mineralization and resorption
-
Roach, H.I. 1994. Why does bone-matrix contain noncollagenous proteins-The possible roles of osteocalcin, osteonectin, osteopontin and bone sialoprotein in bone mineralization and resorption. Cell Biology International 18(6):617-628.
-
(1994)
Cell Biology International
, vol.18
, Issue.6
, pp. 617-628
-
-
Roach, H.I.1
-
139
-
-
1642464839
-
Protein structure prediction using Rosetta
-
Rohl, C.A., C.E.M. Strauss, K.M.S. Misura, and D. Baker. 2004. Protein structure prediction using Rosetta. Numerical Computer Methods, Pt D 383:66-93.
-
(2004)
Numerical Computer Methods
, vol.383
, pp. 66-93
-
-
Rohl, C.A.1
Strauss, C.E.M.2
Misura, K.M.S.3
Baker, D.4
-
140
-
-
0027158885
-
Interactions between the bone-matrix proteins osteopontin and bone sialoprotein and the osteoclast integrin alpha-V-beta-3 potentiate bone-resorption
-
Ross, F.P., J. Chappel, J.I. Alvarez, D. Sander, W.T. Butler, M.C. Farachcarson, K.A. Mintz, P.G. Robey, S.L. Teitelbaum, and D.A. Cheresh. 1993. Interactions between the bone-matrix proteins osteopontin and bone sialoprotein and the osteoclast integrin alpha-V-beta-3 potentiate bone-resorption. Journal of Biological Chemistry 268(13):9901-9907.
-
(1993)
Journal of Biological Chemistry
, vol.268
, Issue.13
, pp. 9901-9907
-
-
Ross, F.P.1
Chappel, J.2
Alvarez, J.I.3
Sander, D.4
Butler, W.T.5
Farachcarson, M.C.6
Mintz, K.A.7
Robey, P.G.8
Teitelbaum, S.L.9
Cheresh, D.A.10
-
141
-
-
32644446215
-
Modeling apatite nucleation in the human body and in the geochemical environment
-
Sahai, N. 2005. Modeling apatite nucleation in the human body and in the geochemical environment. American Journal of Science 305(6-8):661-672.
-
(2005)
American Journal of Science
, vol.305
, Issue.6-8
, pp. 661-672
-
-
Sahai, N.1
-
142
-
-
0037240684
-
In vivo and in vitro phosphorylation regions of bone sialoprotein
-
Salih, E. 2003. In vivo and in vitro phosphorylation regions of bone sialoprotein. Connective Tissue Research 44:223-229.
-
(2003)
Connective Tissue Research
, vol.44
, pp. 223-229
-
-
Salih, E.1
-
143
-
-
0029950732
-
Phosphorylation of purified bovine bone sialoprotein and osteopontin by protein kinases
-
Salih, E., H.Y. Zhou, and M.J. Glimcher. 1996. Phosphorylation of purified bovine bone sialoprotein and osteopontin by protein kinases. Journal of Biological Chemistry 271(28):16897-16905.
-
(1996)
Journal of Biological Chemistry
, vol.271
, Issue.28
, pp. 16897-16905
-
-
Salih, E.1
Zhou, H.Y.2
Glimcher, M.J.3
-
145
-
-
27344449197
-
Progress on modeling of protein structures and interactions
-
Schueler-Furman, O., C. Wang, P. Bradley, K. Misura, and D. Baker. 2005. Progress on modeling of protein structures and interactions. Science 310(5748):638-642.
-
(2005)
Science
, vol.310
, Issue.5748
, pp. 638-642
-
-
Schueler-Furman, O.1
Wang, C.2
Bradley, P.3
Misura, K.4
Baker, D.5
-
146
-
-
0008819754
-
The GROMOS biomolecular simulation program package
-
Scott, W.R.P., P.H. Hunenberger, I.G. Tironi, A.E. Mark, Billeter, Sr., J. Fennen, A.E. Torda, T. Huber, P. Kruger, and W.F. van Gunsteren. 1999. The GROMOS biomolecular simulation program package. Journal of Physical Chemistry A 103(19):3596-3607.
-
(1999)
Journal of Physical Chemistry A
, vol.103
, Issue.19
, pp. 3596-3607
-
-
Scott, W.R.P.1
Hunenberger, P.H.2
Tironi, I.G.3
Mark, A.E.4
Billeter, S.5
Fennen, J.6
Torda, A.E.7
Huber, T.8
Kruger, P.9
van Gunsteren, W.F.10
-
148
-
-
0027332273
-
Characterization of porcine bone sialoprotein--Primary structure and cellular expression
-
Shapiro, H.S., J.K. Chen, J.L. Wrana, Q. Zhang, M. Blum, and J. Sodek. 1993. Characterization of porcine bone sialoprotein--Primary structure and cellular expression. Matrix 13(6):431-440.
-
(1993)
Matrix
, vol.13
, Issue.6
, pp. 431-440
-
-
Shapiro, H.S.1
Chen, J.K.2
Wrana, J.L.3
Zhang, Q.4
Blum, M.5
Sodek, J.6
-
149
-
-
77957937199
-
Atomic-level characterization of the structural dynamics of proteins
-
Shaw, D.E., P. Maragakis, K. Lindorff-Larsen, S. Piana, R.O. Dror, M.P. Eastwood, J.A. Bank, J.M. Jumper, J.K. Salmon, Y.B. Shan, and W. Wriggers. 2010. Atomic-level characterization of the structural dynamics of proteins. Science 330(6002):341-346.
-
(2010)
Science
, vol.330
, Issue.6002
, pp. 341-346
-
-
Shaw, D.E.1
Maragakis, P.2
Lindorff-Larsen, K.3
Piana, S.4
Dror, R.O.5
Eastwood, M.P.6
Bank, J.A.7
Jumper, J.M.8
Salmon, J.K.9
Shan, Y.B.10
Wriggers, W.11
-
151
-
-
0024046244
-
Human-bone sialoprotein-I and sialoprotein-Ii enhance fibroblast attachment in vitro
-
Somerman, M.J., L.W. Fisher, R.A. Foster, and J.J. Sauk. 1988. Human-bone sialoprotein-I and sialoprotein-Ii enhance fibroblast attachment in vitro. Calcified Tissue International 43(1):50-53.
-
(1988)
Calcified Tissue International
, vol.43
, Issue.1
, pp. 50-53
-
-
Somerman, M.J.1
Fisher, L.W.2
Foster, R.A.3
Sauk, J.J.4
-
152
-
-
0028875692
-
Posttranslational modifications of bovine osteopontin--Identification of 28 phosphorylation and 3 O-glycosylation sites
-
Sorensen, E.S., P. Hojrup, and T.E. Petersen. 1995. Posttranslational modifications of bovine osteopontin--Identification of 28 phosphorylation and 3 O-glycosylation sites. Protein Science 4(10):2040-2049.
-
(1995)
Protein Science
, vol.4
, Issue.10
, pp. 2040-2049
-
-
Sorensen, E.S.1
Hojrup, P.2
Petersen, T.E.3
-
153
-
-
34249930159
-
Single-molecule experiments in vitro and in silico
-
Sotomayor, M. and K. Schulten. 2007. Single-molecule experiments in vitro and in silico. Science 316(5828):1144-1148.
-
(2007)
Science
, vol.316
, Issue.5828
, pp. 1144-1148
-
-
Sotomayor, M.1
Schulten, K.2
-
155
-
-
84988129057
-
Optimization of parameters for semiempirical methods.1. Method
-
Stewart, J.J.P. 1989. Optimization of parameters for semiempirical methods.1. Method. Journal of Computational Chemistry 10(2):209-220.
-
(1989)
Journal of Computational Chemistry
, vol.10
, Issue.2
, pp. 209-220
-
-
Stewart, J.J.P.1
-
156
-
-
0030741640
-
Characterization of native and recombinant bone sialoprotein: Delineation of the mineral-binding and cell adhesion domains and structural analysis of the RGD domain
-
Stubbs, J.T., K.P. Mintz, E.D. Eanes, D.A. Torchia, and L.W. Fisher. 1997. Characterization of native and recombinant bone sialoprotein: Delineation of the mineral-binding and cell adhesion domains and structural analysis of the RGD domain. Journal of Bone and Mineral Research 12(8):1210-1222.
-
(1997)
Journal of Bone and Mineral Research
, vol.12
, Issue.8
, pp. 1210-1222
-
-
Stubbs, J.T.1
Mintz, K.P.2
Eanes, E.D.3
Torchia, D.A.4
Fisher, L.W.5
-
157
-
-
0001616080
-
Replica-exchange molecular dynamics method for protein folding
-
Sugita, Y. and Y. Okamoto. 1999. Replica-exchange molecular dynamics method for protein folding. Chemical Physics Letters 314(1-2):141-151.
-
(1999)
Chemical Physics Letters
, vol.314
, Issue.1-2
, pp. 141-151
-
-
Sugita, Y.1
Okamoto, Y.2
-
158
-
-
36749110571
-
A computer-simulation method for the calculation of equilibriumconstants for the formation of physical clusters of molecules--Application to small water clusters
-
Swope, W.C., H.C. Andersen, P.H. Berens, and K.R. Wilson. 1982. A computer-simulation method for the calculation of equilibriumconstants for the formation of physical clusters of molecules--Application to small water clusters. Journal of Chemical Physics 76(1):637-649.
-
(1982)
Journal of Chemical Physics
, vol.76
, Issue.1
, pp. 637-649
-
-
Swope, W.C.1
Andersen, H.C.2
Berens, P.H.3
Wilson, K.R.4
-
160
-
-
0014019580
-
Infra-red determination of percentage of crystallinity in apatitic calcium phosphates
-
Termine, J.D. and A.S. Posner. 1966a. Infra-red determination of percentage of crystallinity in apatitic calcium phosphates. Nature 211(5046):268-270.
-
(1966)
Nature
, vol.211
, Issue.5046
, pp. 268-270
-
-
Termine, J.D.1
Posner, A.S.2
-
161
-
-
0014026035
-
Infrared analysis of rat bone--Age dependency of amorphous and crystalline mineral fractions
-
Termine, J.D. and A.S. Posner. 1966b. Infrared analysis of rat bone--Age dependency of amorphous and crystalline mineral fractions. Science 153(3743):1523-1525.
-
(1966)
Science
, vol.153
, Issue.3743
, pp. 1523-1525
-
-
Termine, J.D.1
Posner, A.S.2
-
162
-
-
0032951553
-
Alamethicin helices in a bilayer and in solution: Molecular dynamics simulations
-
Tieleman, D.P., M.S.P. Sansom, and H.J.C. Berendsen. 1999. Alamethicin helices in a bilayer and in solution: Molecular dynamics simulations. Biophysical Journal 76(1):40-49.
-
(1999)
Biophysical Journal
, vol.76
, Issue.1
, pp. 40-49
-
-
Tieleman, D.P.1
Sansom, M.S.P.2
Berendsen, H.J.C.3
-
164
-
-
0342929614
-
Non-physical sampling distributions in Monte-Carlo free-energy estimation--Umbrella sampling
-
Torrie, G.M. and J.P. Valleau. 1977a. Non-physical sampling distributions in Monte-Carlo free-energy estimation--Umbrella sampling. Journal of Computational Physics 23(2):187-199.
-
(1977)
Journal of Computational Physics
, vol.23
, Issue.2
, pp. 187-199
-
-
Torrie, G.M.1
Valleau, J.P.2
-
165
-
-
0342929614
-
Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling
-
Torrie, G.M. and J.P. Valleau. 1977b. Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling. Journal of Computational Physics 23(2):187-199.
-
(1977)
Journal of Computational Physics
, vol.23
, Issue.2
, pp. 187-199
-
-
Torrie, G.M.1
Valleau, J.P.2
-
166
-
-
0037424542
-
Delineation of the hydroxyapatite-nucleating domains of bone sialoprotein
-
Tye, C.E., K.R. Rattray, K.J. Warner, J.A.R. Gordon, J. Sodek, G.K. Hunter, and H.A. Goldberg. 2003. Delineation of the hydroxyapatite-nucleating domains of bone sialoprotein. Journal of Biological Chemistry 278(10):7949-7955.
-
(2003)
Journal of Biological Chemistry
, vol.278
, Issue.10
, pp. 7949-7955
-
-
Tye, C.E.1
Rattray, K.R.2
Warner, K.J.3
Gordon, J.A.R.4
Sodek, J.5
Hunter, G.K.6
Goldberg, H.A.7
-
167
-
-
0027884082
-
A surface complexation model of the carbonate mineralaqueous solution interface
-
Van Cappellen, P., L. Charlet, W. Stumm, and P. Wersin. 1993. A surface complexation model of the carbonate mineralaqueous solution interface. Geochimica et Cosmochimica Acta 57(15):3505-3518.
-
(1993)
Geochimica et Cosmochimica Acta
, vol.57
, Issue.15
, pp. 3505-3518
-
-
Van Cappellen, P.1
Charlet, L.2
Stumm, W.3
Wersin, P.4
-
168
-
-
76149136021
-
Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39)
-
Voelz, V.A., G.R. Bowman, K. Beauchamp, and V.S. Pande. 2010. Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39). Journal of the American Chemical Society 132(5):1526-1528.
-
(2010)
Journal of the American Chemical Society
, vol.132
, Issue.5
, pp. 1526-1528
-
-
Voelz, V.A.1
Bowman, G.R.2
Beauchamp, K.3
Pande, V.S.4
-
169
-
-
0041876227
-
Computer simulations of enzyme catalysis: Methods, progress, and insights
-
Warshel, A. 2003. Computer simulations of enzyme catalysis: Methods, progress, and insights. Annual Review of Biophysics and Biomolecular Structure 32:425-443.
-
(2003)
Annual Review of Biophysics and Biomolecular Structure
, vol.32
, pp. 425-443
-
-
Warshel, A.1
-
170
-
-
0017100947
-
Theoretical studies of enzymic reactions--Dielectric, electrostatic and steric stabilization of carbonium-ion in reaction of lysozyme
-
Warshel, A. and M. Levitt. 1976. Theoretical studies of enzymic reactions--Dielectric, electrostatic and steric stabilization of carbonium-ion in reaction of lysozyme. Journal of Molecular Biology 103(2):227-249.
-
(1976)
Journal of Molecular Biology
, vol.103
, Issue.2
, pp. 227-249
-
-
Warshel, A.1
Levitt, M.2
-
171
-
-
33746624774
-
Transient precursor strategy in mineral formation of bone
-
Weiner, S. 2006. Transient precursor strategy in mineral formation of bone. Bone 39(3):431-433.
-
(2006)
Bone
, vol.39
, Issue.3
, pp. 431-433
-
-
Weiner, S.1
-
172
-
-
0000506624
-
Electron-diffraction of mollusk shell organic matrices and their relationship to the mineral phase
-
Weiner, S., Y. Talmon, and W. Traub. 1983. Electron-diffraction of mollusk shell organic matrices and their relationship to the mineral phase. International Journal of Biological Macromolecules 5(6):325-328.
-
(1983)
International Journal of Biological Macromolecules
, vol.5
, Issue.6
, pp. 325-328
-
-
Weiner, S.1
Talmon, Y.2
Traub, W.3
-
173
-
-
0021757436
-
A new force-field for molecular mechanical simulation of nucleic-acids and proteins
-
Weiner, S.J., P.A. Kollman, D.A. Case, U.C. Singh, C. Ghio, G. Alagona, S. Profeta, and P. Weiner. 1984. A new force-field for molecular mechanical simulation of nucleic-acids and proteins. Journal of the American Chemical Society 106(3):765-784.
-
(1984)
Journal of the American Chemical Society
, vol.106
, Issue.3
, pp. 765-784
-
-
Weiner, S.J.1
Kollman, P.A.2
Case, D.A.3
Singh, U.C.4
Ghio, C.5
Alagona, G.6
Profeta, S.7
Weiner, P.8
-
174
-
-
0036784203
-
Mollusc larval shell formation: Amorphous calcium carbonate is a precursor phase for aragonite
-
Weiss, I.M., N. Tuross, L. Addadi, and S. Weiner. 2002. Mollusc larval shell formation: Amorphous calcium carbonate is a precursor phase for aragonite. Journal of Experimental Zoology 293(5):478-491.
-
(2002)
Journal of Experimental Zoology
, vol.293
, Issue.5
, pp. 478-491
-
-
Weiss, I.M.1
Tuross, N.2
Addadi, L.3
Weiner, S.4
-
177
-
-
0030038849
-
Structure, energetics, and dynamics of lipid-protein interactions: A molecular dynamics study of the gramicidin A channel in a DMPC bilayer
-
Woolf, T.B. and B. Roux. 1996. Structure, energetics, and dynamics of lipid-protein interactions: A molecular dynamics study of the gramicidin A channel in a DMPC bilayer. Proteins-Structure Function and Genetics 24(1):92-114.
-
(1996)
Proteins-Structure Function and Genetics
, vol.24
, Issue.1
, pp. 92-114
-
-
Woolf, T.B.1
Roux, B.2
-
178
-
-
0042659482
-
Phosphate ions in bone: Identification of a calcium-organic phosphate complex by P-31 solid-state NMR spectroscopy at early stages of mineralization
-
Wu, Y., J.L. Ackerman, E.S. Strawich, C. Rey, H.M. Kim, and M.J. Glimcher. 2003. Phosphate ions in bone: Identification of a calcium-organic phosphate complex by P-31 solid-state NMR spectroscopy at early stages of mineralization. Calcified Tissue International 72(5):610-626.
-
(2003)
Calcified Tissue International
, vol.72
, Issue.5
, pp. 610-626
-
-
Wu, Y.1
Ackerman, J.L.2
Strawich, E.S.3
Rey, C.4
Kim, H.M.5
Glimcher, M.J.6
-
179
-
-
36649021120
-
Design of a next generation force field: The X-POL potential
-
Xie, W.S. and J.L. Gao. 2007. Design of a next generation force field:The X-POL potential. Journal of Chemical Theory and Computation 3(6):1890-1900.
-
(2007)
Journal of Chemical Theory and Computation
, vol.3
, Issue.6
, pp. 1890-1900
-
-
Xie, W.S.1
Gao, J.L.2
-
180
-
-
85137466824
-
Small molecule-mediated control of hydroxyapatite growth: Free energy calculations benchmarked to density functional theory
-
Accepted for publication
-
Xu, Z., Y. Yang, D. Mkhonto, C. Shang, Z.P. Liu, Q. Cui, and N. Sahai. Small molecule-mediated control of hydroxyapatite growth: Free energy calculations benchmarked to density functional theory. Journal of Physical Chemistry C. Accepted for publication.
-
Journal of Physical Chemistry C
-
-
Xu, Z.1
Yang, Y.2
Mkhonto, D.3
Shang, C.4
Liu, Z.P.5
Cui, Q.6
Sahai, N.7
-
181
-
-
56349111190
-
On the mechanism of surfactant adsorption on solid surfaces: Free-energy investigations
-
Xu, Z.J., X.N. Yang, and Z. Yang. 2008. On the mechanism of surfactant adsorption on solid surfaces: Free-energy investigations. Journal of Physical Chemistry B 112(44):13802-13811.
-
(2008)
Journal of Physical Chemistry B
, vol.112
, Issue.44
, pp. 13802-13811
-
-
Xu, Z.J.1
Yang, X.N.2
Yang, Z.3
-
182
-
-
77649142033
-
How amelogenin orchestrates the organization of hierarchical elongated microstructures of apatite
-
Yang, X.D., L.J. Wang, Y.L. Qin, Z. Sun, Z.J. Henneman, J. Moradian-Oldak, and G.H. Nancollas. 2010. How amelogenin orchestrates the organization of hierarchical elongated microstructures of apatite. Journal of Physical Chemistry B 114(6):2293-2300.
-
(2010)
Journal of Physical Chemistry B
, vol.114
, Issue.6
, pp. 2293-2300
-
-
Yang, X.D.1
Wang, L.J.2
Qin, Y.L.3
Sun, Z.4
Henneman, Z.J.5
Moradian-Oldak, J.6
Nancollas, G.H.7
-
183
-
-
77956085282
-
How does bone sialoprotein promote the nucleation of hydroxyapatite? A molecular dynamics study using model peptides of different conformations
-
Yang, Y., Q.A. Cui, and N. Sahai. 2010. How does bone sialoprotein promote the nucleation of hydroxyapatite? A molecular dynamics study using model peptides of different conformations. Langmuir 26(12):9848-9859.
-
(2010)
Langmuir
, vol.26
, Issue.12
, pp. 9848-9859
-
-
Yang, Y.1
Cui, Q.A.2
Sahai, N.3
-
184
-
-
80051791848
-
Theoretical study of bone sialoprotein in bone biomineralization
-
Yang, Y., D. Mkhonto, Q. Cui, and N. Sahai. 2011. Theoretical study of bone sialoprotein in bone biomineralization. Cells Tissues Organs 194(2-4):182-187.
-
(2011)
Cells Tissues Organs
, vol.194
, Issue.2-4
, pp. 182-187
-
-
Yang, Y.1
Mkhonto, D.2
Cui, Q.3
Sahai, N.4
-
185
-
-
77950132714
-
Simulating monovalent and divalent ions in aqueous solution using a drude polarizable force field
-
Yu, H.B., T.W. Whitfield, E. Harder, G. Lamoureux, I. Vorobyov, V.M. Anisimov, A.D. MacKerell, and B. Roux. 2010. Simulating monovalent and divalent ions in aqueous solution using a drude polarizable force field. Journal of Chemical Theory and Computation 6(3):774-786.
-
(2010)
Journal of Chemical Theory and Computation
, vol.6
, Issue.3
, pp. 774-786
-
-
Yu, H.B.1
Whitfield, T.W.2
Harder, E.3
Lamoureux, G.4
Vorobyov, I.5
Anisimov, V.M.6
MacKerell, A.D.7
Roux, B.8
-
186
-
-
79952689267
-
Elucidating the crystal face-and hydration-dependent catalytic activity of hydrotalcites in biodiesel production
-
Yu, K.A. and J.R. Schmidt. 2011. Elucidating the crystal face-and hydration-dependent catalytic activity of hydrotalcites in biodiesel production. Journal of Physical Chemistry C 115(5):1887-1898.
-
(2011)
Journal of Physical Chemistry C
, vol.115
, Issue.5
, pp. 1887-1898
-
-
Yu, K.A.1
Schmidt, J.R.2
-
187
-
-
0035980257
-
Posttranslational modifications to human bone sialoprotein determined by mass spectrometry
-
Zaia, J., R. Boynton, D. Heinegard, and F. Barry. 2001. Posttranslational modifications to human bone sialoprotein determined by mass spectrometry. Biochemistry 40(43):12983-12991.
-
(2001)
Biochemistry
, vol.40
, Issue.43
, pp. 12983-12991
-
-
Zaia, J.1
Boynton, R.2
Heinegard, D.3
Barry, F.4
-
188
-
-
79956114412
-
An SCC-DFTB/MD study of the adsorption of zwitterionic glycine on a geminal hydroxylated silica surface in an explicit water environment
-
Zhao, Y.L., S. Koppen, and T. Frauenheim. 2011. An SCC-DFTB/MD study of the adsorption of zwitterionic glycine on a geminal hydroxylated silica surface in an explicit water environment. Journal of Physical Chemistry C 115(19):9615-9621.
-
(2011)
Journal of Physical Chemistry C
, vol.115
, Issue.19
, pp. 9615-9621
-
-
Zhao, Y.L.1
Koppen, S.2
Frauenheim, T.3
-
189
-
-
34547103271
-
Adsorption mechanism of BMP-7 on hydroxyapatite (001) surfaces
-
Zhou, H., T. Wu, X. Dong, Q. Wang, and J.W. Shen. 2007. Adsorption mechanism of BMP-7 on hydroxyapatite (001) surfaces. Biochemical and Biophysical Research Communications 361(1):91-96.
-
(2007)
Biochemical and Biophysical Research Communications
, vol.361
, Issue.1
, pp. 91-96
-
-
Zhou, H.1
Wu, T.2
Dong, X.3
Wang, Q.4
Shen, J.W.5
-
190
-
-
0035688758
-
Synthesis and processing of bone sialoproteins during de novo bone formation in vitro
-
Zhu, X.L., B. Ganss, H.A. Goldberg, and J. Sodek. 2001. Synthesis and processing of bone sialoproteins during de novo bone formation in vitro. Biochemistry and Cell Biology-Biochimie et Biologie Cellulaire 79(6):737-746.
-
(2001)
Biochemistry and Cell Biology-Biochimie et Biologie Cellulaire
, vol.79
, Issue.6
, pp. 737-746
-
-
Zhu, X.L.1
Ganss, B.2
Goldberg, H.A.3
Sodek, J.4
|