-
1
-
-
0038216701
-
Molecular dynamics simulation in virtual environments
-
Ai, Z., and T. Fröhlich. 1998. Molecular dynamics simulation in virtual environments. Comp. Graph. Forum. 17:C267-C273.
-
(1998)
Comp. Graph. Forum.
, vol.17
-
-
Ai, Z.1
Fröhlich, T.2
-
2
-
-
0032853219
-
Cellular and molecular biology of the aquaporin water channels
-
Borgnia, M., S. Nielsen, A. Engel, and P. Agre. 1999. Cellular and molecular biology of the aquaporin water channels. Annu. Rev. Biochem. 68:425-458.
-
(1999)
Annu. Rev. Biochem.
, vol.68
, pp. 425-458
-
-
Borgnia, M.1
Nielsen, S.2
Engel, A.3
Agre, P.4
-
3
-
-
0033596853
-
Crystal structures of Escherichia coli glycerol kinase variant S58→W in complex with nonhydrolyzable ATP analogues reveal a putative active conformation of the enzyme as a result of domain motion
-
Bystrom, C. E., D. W. Pettigrew, B. P. Branchaud, P. O'Brien, and S. J. Remington. 1999. Crystal structures of Escherichia coli glycerol kinase variant S58→W in complex with nonhydrolyzable ATP analogues reveal a putative active conformation of the enzyme as a result of domain motion. Biochemistry. 38:3508-3518.
-
(1999)
Biochemistry
, vol.38
, pp. 3508-3518
-
-
Bystrom, C.E.1
Pettigrew, D.W.2
Branchaud, B.P.3
O'Brien, P.4
Remington, S.J.5
-
4
-
-
0035979744
-
A refined structure of human aquaporin-1
-
de Groot, B. L., A. Engel, and H. Grubmüller. 2001. A refined structure of human aquaporin-1. FEBS Lett. 504:206-211.
-
(2001)
FEBS Lett.
, vol.504
, pp. 206-211
-
-
De Groot, B.L.1
Engel, A.2
Grubmüller, H.3
-
5
-
-
0035861454
-
Water permeation across biological membranes: Mechanism and dynamics of aquapofin-1 and GlpF
-
de Groot, B. L., and H. Grubmüller. 2001. Water permeation across biological membranes: mechanism and dynamics of aquapofin-1 and GlpF. Science. 294:2353-2357.
-
(2001)
Science
, vol.294
, pp. 2353-2357
-
-
De Groot, B.L.1
Grubmüller, H.2
-
6
-
-
17844379979
-
Glycerol kinase deficiency: Evidence for complexity in a single gene disorder
-
Dipple, K. M., Y.-H. Zhang, B.-L. Huang, L. L. McCabe, J. Dallongeville, T. Inokuchi, M. Kimura, H. J. Marx, G. O. Roederer, V. Shih, S. Yamaguchi, I. Yoshida, and E. R. B. McCabe. 2001. Glycerol kinase deficiency: evidence for complexity in a single gene disorder. Hum. Genet. 109:55-62.
-
(2001)
Hum. Genet.
, vol.109
, pp. 55-62
-
-
Dipple, K.M.1
Zhang, Y.-H.2
Huang, B.-L.3
McCabe, L.L.4
Dallongeville, J.5
Inokuchi, T.6
Kimura, M.7
Marx, H.J.8
Roederer, G.O.9
Shih, V.10
Yamaguchi, S.11
Yoshida, I.12
McCabe, E.R.B.13
-
7
-
-
0028334938
-
Cation-promoted association of a regulatory and target protein is controlled by protein phosphorylation
-
Feese, M., D. W. Pettigrew, N. D. Meadow, S. Roseman, and S. J. Remington. 1994. Cation-promoted association of a regulatory and target protein is controlled by protein phosphorylation. Proc. Natl. Nott. Acad. Sci. USA. 91:3544-3548.
-
(1994)
Proc. Natl. Nott. Acad. Sci. USA
, vol.91
, pp. 3544-3548
-
-
Feese, M.1
Pettigrew, D.W.2
Meadow, N.D.3
Roseman, S.4
Remington, S.J.5
-
8
-
-
0032533833
-
Glycerol kinase from Escherichia coli and an Ala65→Thr mutant: The crystal structures reveal conformational changes with implications for allosteric regulation
-
Feese, M. D., H. R. Faber, C. E. Bystrom, D. W. Pettigrew, and S. J. Remington. 1998. Glycerol kinase from Escherichia coli and an Ala65→Thr mutant: the crystal structures reveal conformational changes with implications for allosteric regulation. Structure. 6:1407-1418.
-
(1998)
Structure
, vol.6
, pp. 1407-1418
-
-
Feese, M.D.1
Faber, H.R.2
Bystrom, C.E.3
Pettigrew, D.W.4
Remington, S.J.5
-
9
-
-
0033761347
-
Structure of a glycerol conducting channel and the basis for its selectivity
-
Fu, D., A. Libson, L. J. W. Miercke, C. Weitzman, P. Nollert, J. Krucinski, and R. M. Stroud. 2000. Structure of a glycerol conducting channel and the basis for its selectivity. Science. 290:481-486.
-
(2000)
Science
, vol.290
, pp. 481-486
-
-
Fu, D.1
Libson, A.2
Miercke, L.J.W.3
Weitzman, C.4
Nollert, P.5
Krucinski, J.6
Stroud, R.M.7
-
10
-
-
0036667729
-
Structure and function of water channels
-
Fujiyoshi, Y., K. Mitsuoka, B. L. de Groot, A. Philippsen, H. Grubmüller, P. Agre, and A. Engel. 2002. Structure and function of water channels. Curr. Opin. Struct. Biol. 12:509-515.
-
(2002)
Curr. Opin. Struct. Biol.
, vol.12
, pp. 509-515
-
-
Fujiyoshi, Y.1
Mitsuoka, K.2
De Groot, B.L.3
Philippsen, A.4
Grubmüller, H.5
Agre, P.6
Engel, A.7
-
11
-
-
0030059225
-
Ligand binding and molecular mechanics calculation of the streptavidin-biotin rupture force
-
Grubmüller, H., B. Heymann, and P. Tavan. 1996. Ligand binding and molecular mechanics calculation of the streptavidin-biotin rupture force. Science. 271:997-999.
-
(1996)
Science
, vol.271
, pp. 997-999
-
-
Grubmüller, H.1
Heymann, B.2
Tavan, P.3
-
12
-
-
0013412734
-
An02/dnp-hapten unbinding forces studied by molecular dynamics atomic force microscopy simulations
-
Heymann, B., and H. Grubmüller. 1999. An02/dnp-hapten unbinding forces studied by molecular dynamics atomic force microscopy simulations. Chem. Phys. Lett. 303:1-9.
-
(1999)
Chem. Phys. Lett.
, vol.303
, pp. 1-9
-
-
Heymann, B.1
Grubmüller, H.2
-
13
-
-
0027463380
-
A new ATP-binding fold in actin, hexokinase, and Hsc70
-
Holmes, K. C., C. Sander, and A. Valencia. 1993. A new ATP-binding fold in actin, hexokinase, and Hsc70. Trends Cell Biol. 3:53-59.
-
(1993)
Trends Cell Biol.
, vol.3
, pp. 53-59
-
-
Holmes, K.C.1
Sander, C.2
Valencia, A.3
-
14
-
-
0035026474
-
Reverse genetics of Escherichia coli glycerol kinase allosteric regulation and glucose control of glycerol utilization in vivo
-
Holtman, C. K., A. C. Pawlyk, N. D. Meadow, and D. W. Pettigrew. 2001. Reverse genetics of Escherichia coli glycerol kinase allosteric regulation and glucose control of glycerol utilization in vivo. J. Bacteriol. 183:3336-3344.
-
(2001)
J. Bacteriol.
, vol.183
, pp. 3336-3344
-
-
Holtman, C.K.1
Pawlyk, A.C.2
Meadow, N.D.3
Pettigrew, D.W.4
-
15
-
-
0034929564
-
Preliminary crystallographic study of Thermus aquaticus glycerol kinase
-
Huang, H.-S., T. Inoue, K. Ito, and T. Yoshimoto. 2001. Preliminary crystallographic study of Thermus aquaticus glycerol kinase. Acta Crystallogr. D. 57:1030-1031.
-
(2001)
Acta Crystallogr. D
, vol.57
, pp. 1030-1031
-
-
Huang, H.-S.1
Inoue, T.2
Ito, K.3
Yoshimoto, T.4
-
18
-
-
0035003803
-
Steered molecular dynamics investigations of protein function
-
Isralewitz, B., J. Baudry, J. Gullingsrud, D. Kosztin, and K. Schulten. 2001a. Steered molecular dynamics investigations of protein function. J. Mol. Graph. Modeling. 19:13-25.
-
(2001)
J. Mol. Graph. Modeling
, vol.19
, pp. 13-25
-
-
Isralewitz, B.1
Baudry, J.2
Gullingsrud, J.3
Kosztin, D.4
Schulten, K.5
-
19
-
-
0037541181
-
-
Biological Modeling Series L. A. Kuhn and M. F. Thorpe, editors. Elsevier
-
Also In Protein Flexibility and Folding. Biological Modeling Series L. A. Kuhn and M. F. Thorpe, editors. Elsevier.
-
Protein Flexibility and Folding
-
-
-
20
-
-
0035312645
-
Steered molecular dynamics and mechanical functions of proteins
-
Isralewitz, B., M. Gao, and K. Schulten. 2001b. Steered molecular dynamics and mechanical functions of proteins. Curr. Op. Struct. Biol. 11:224-230.
-
(2001)
Curr. Op. Struct. Biol.
, vol.11
, pp. 224-230
-
-
Isralewitz, B.1
Gao, M.2
Schulten, K.3
-
22
-
-
0030987036
-
Molecular dynamics study of unbinding of the avidin-biotin complex
-
Izrailev, S., S. Stepaniants, M. Balsera, Y. Oono, and K. Schulten. 1997. Molecular dynamics study of unbinding of the avidin-biotin complex. Biophys. J. 72:1568-1581.
-
(1997)
Biophys. J.
, vol.72
, pp. 1568-1581
-
-
Izrailev, S.1
Stepaniants, S.2
Balsera, M.3
Oono, Y.4
Schulten, K.5
-
23
-
-
0002174423
-
Steered molecular dynamics
-
P. Deuflhard, J. Hermans, B. Leimkuhler, A. E. Mark, S. Reich, and R. D. Skeel, editors. Springer-Verlag, Berlin, Germany
-
Izrailev, S., S. Stepaniants, B. Isralewitz, D. Kosztin, H. Lu, F. Molnar, W. Wriggers, and K. Schulten. 1998. Steered molecular dynamics. In Computational Molecular Dynamics: Challenges, Methods, Ideas. Vol. 4, Lecture Notes in Computational Science and Engineering. P. Deuflhard, J. Hermans, B. Leimkuhler, A. E. Mark, S. Reich, and R. D. Skeel, editors. Springer-Verlag, Berlin, Germany. pp.39-65.
-
(1998)
Computational Molecular Dynamics: Challenges, Methods, Ideas. Vol. 4, Lecture Notes in Computational Science and Engineering
, vol.4
, pp. 39-65
-
-
Izrailev, S.1
Stepaniants, S.2
Isralewitz, B.3
Kosztin, D.4
Lu, H.5
Molnar, F.6
Wriggers, W.7
Schulten, K.8
-
24
-
-
0037076420
-
Energetics of glycerol conduction through aquaglyceroporin GlpF
-
Jensen, M. O., S. Park, E. Tajkhorshid, and K. Schulten. 2002. Energetics of glycerol conduction through aquaglyceroporin GlpF. Proc. Natl. Acad. Sci. USA. 99:6731-6736.
-
(2002)
Proc. Natl. Acad. Sci. USA
, vol.99
, pp. 6731-6736
-
-
Jensen, M.O.1
Park, S.2
Tajkhorshid, E.3
Schulten, K.4
-
25
-
-
0035183282
-
The mechanism of glycerol conduction in aquaglyceroporins
-
Jensen, M. O., E. Tajkhorshid, and K. Schulten. 2001. The mechanism of glycerol conduction in aquaglyceroporins. Structure. 9:1083-1093.
-
(2001)
Structure
, vol.9
, pp. 1083-1093
-
-
Jensen, M.O.1
Tajkhorshid, E.2
Schulten, K.3
-
26
-
-
0042415783
-
NAMD2: Greater scalability for parallel molecular dynamics
-
Kalé, L., R. Skeel, M. Bhandarkar, R. Brunner, A. Gursoy, N. Krawetz, J. Phillips. A. Shinozaki, K. Varadarajan, and K. Schulten. 1999. NAMD2: greater scalability for parallel molecular dynamics. J. Comp. Phys. 151:283-312.
-
(1999)
J. Comp. Phys.
, vol.151
, pp. 283-312
-
-
Kalé, L.1
Skeel, R.2
Bhandarkar, M.3
Brunner, R.4
Gursoy, A.5
Krawetz, N.6
Phillips, J.7
Shinozaki, A.8
Varadarajan, K.9
Schulten, K.10
-
27
-
-
0032906662
-
Unbinding of retinoic acid from its receptor studied by steered molecular dynamics
-
Kosztin, D., S. Izrailev, and K. Schulten. 1999. Unbinding of retinoic acid from its receptor studied by steered molecular dynamics. Biophys. J. 76:188-197.
-
(1999)
Biophys. J.
, vol.76
, pp. 188-197
-
-
Kosztin, D.1
Izrailev, S.2
Schulten, K.3
-
28
-
-
0036259463
-
Aquaporin water channels: Atomic structure and molecular dynamics meet clinical medicine
-
Kozono, D., M. Yasui, L. S. King, and P. Agre. 2002. Aquaporin water channels: atomic structure and molecular dynamics meet clinical medicine. J. Clin. Invest. 109:1395-1399.
-
(2002)
J. Clin. Invest.
, vol.109
, pp. 1395-1399
-
-
Kozono, D.1
Yasui, M.2
King, L.S.3
Agre, P.4
-
29
-
-
84986519238
-
The weighted histogram analysis method for free-energy calculations on biomolecules. I. The method
-
Kumar, S., D. Bouzida, R. H. Swendsen, P. A. Kollman, and J. M. Rosenberg. 1992. The weighted histogram analysis method for free-energy calculations on biomolecules. I. The method. J. Comp. Chem. 13:1011-1021.
-
(1992)
J. Comp. Chem.
, vol.13
, pp. 1011-1021
-
-
Kumar, S.1
Bouzida, D.2
Swendsen, R.H.3
Kollman, P.A.4
Rosenberg, J.M.5
-
30
-
-
0037007052
-
Water transporters: How so fast, yet so selective?
-
Law, R. J., and M. S. P. Sansom. 2002. Water transporters: how so fast, yet so selective? Curr. Biol. 12:R250-R252.
-
(2002)
Curr. Biol.
, vol.12
-
-
Law, R.J.1
Sansom, M.S.P.2
-
31
-
-
0000071066
-
Dissimilatory pathways for sugars, polyols, and carboxylates
-
F. C. Neidhart, editor. ASM Press, Washington, DC
-
Lin, E. C. C. 1996. Dissimilatory pathways for sugars, polyols, and carboxylates. In Escherichia coli and Salmonella typhimurium: Cellular and Molecular Biology. F. C. Neidhart, editor. ASM Press, Washington, DC. pp.307-326.
-
(1996)
Escherichia Coli and Salmonella Typhimurium: Cellular and Molecular Biology
, pp. 307-326
-
-
Lin, E.C.C.1
-
32
-
-
0031848099
-
Unfolding of titin immunoglobulin domains by steered molecular dynamics simulation
-
Lu, H., B. Isralewitz, A. Krammer, V. Vogel, and K. Schulten. 1998. Unfolding of titin immunoglobulin domains by steered molecular dynamics simulation. Biophys. J. 75:662-671.
-
(1998)
Biophys. J.
, vol.75
, pp. 662-671
-
-
Lu, H.1
Isralewitz, B.2
Krammer, A.3
Vogel, V.4
Schulten, K.5
-
33
-
-
0034470436
-
Computer modeling of force-induced titin domain unfolding
-
J. Pollack and H. Granzier, editors. Kluwer Academic/Plenum Publishers, New York, NY
-
Lu, H., A. Krammer, B. Isralewitz, V. Vogel, and K. Schulten. 2000. Computer modeling of force-induced titin domain unfolding. In Elastic Filaments of the Cell. J. Pollack and H. Granzier, editors. Kluwer Academic/Plenum Publishers, New York, NY. pp.143-162.
-
(2000)
Elastic Filaments of the Cell
, pp. 143-162
-
-
Lu, H.1
Krammer, A.2
Isralewitz, B.3
Vogel, V.4
Schulten, K.5
-
34
-
-
0041784950
-
All-hydrogen empirical potential for molecular modeling and dynamics studies of proteins using the CHARMM22 force field
-
MacKerell, A. D., Jr., D. Bashford, M. Bellott, R. L. Dunbrack, Jr., J. Evanseck, M. J. Field, S. Fischer, J. Gao, H. Guo, S. Ha, D. Joseph, L. Kuchnir, K. Kuczera, F. T. K. Lau, C. Mattos, S. Michnick, T. Ngo, D. T. Nguyen, B. Prodhom, I. W. E. Reiher, B. Roux, M. Schlenkrich, J. Smith, R. Stote, J. Straub, M. Watanabe, J. Wiorkiewicz-Kuczera, D. Yin, and M. Karplus. 1998. All-hydrogen empirical potential for molecular modeling and dynamics studies of proteins using the CHARMM22 force field. J. Phys. Chem. B. 102:3586-3616.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 3586-3616
-
-
MacKerell A.D., Jr.1
Bashford, D.2
Bellott, M.3
Dunbrack R.L., Jr.4
Evanseck, J.5
Field, M.J.6
Fischer, S.7
Gao, J.8
Guo, H.9
Ha, S.10
Joseph, D.11
Kuchnir, L.12
Kuczera, K.13
Lau, F.T.K.14
Mattos, C.15
Michnick, S.16
Ngo, T.17
Nguyen, D.T.18
Prodhom, B.19
Reiher, I.W.E.20
Roux, B.21
Schlenkrich, M.22
Smith, J.23
Stote, R.24
Straub, J.25
Watanabe, M.26
Wiorkiewicz-Kuczera, J.27
Yin, D.28
Karplus, M.29
more..
-
35
-
-
0000217485
-
Self-consistent parameterization of biomolecules for molecular modeling and condensed phase simulations
-
MacKerell, A. D., Jr., D. Bashford, M. Bellott, R. L. Dunbrack, Jr., J. Evanseck, M. J. Field, S. Fischer, J. Gao, H. Guo, S. Ha, D. Joseph, L. Kuchnir, K. Kuczera, F. T. K. Lau, C. Mattos, S. Michnick, T. Ngo, D. T. Nguyen, B. Prodhom, B. Roux, M. Schlenkrich, J. Smith, R. Stote, J. Straub, M. Watanabe, J. Wiorkiewicz-Kuczera, D. Yin, and M. Karplus. 1992. Self-consistent parameterization of biomolecules for molecular modeling and condensed phase simulations. FASEB J. 6:A143.
-
(1992)
FASEB J.
, vol.6
-
-
MacKerell A.D., Jr.1
Bashford, D.2
Bellott, M.3
Dunbrack R.L., Jr.4
Evanseck, J.5
Field, M.J.6
Fischer, S.7
Gao, J.8
Guo, H.9
Ha, S.10
Joseph, D.11
Kuchnir, L.12
Kuczera, K.13
Lau, F.T.K.14
Mattos, C.15
Michnick, S.16
Ngo, T.17
Nguyen, D.T.18
Prodhom, B.19
Roux, B.20
Schlenkrich, M.21
Smith, J.22
Stote, R.23
Straub, J.24
Watanabe, M.25
Wiorkiewicz-Kuczera, J.26
Yin, D.27
Karplus, M.28
more..
-
36
-
-
0033574987
-
X-ray structure of glycerol kinase complexed with an ATP analog implies a novel mechanism for the ATP-dependent glycerol phosphorylation by glycerol kinase
-
Mao, C., Z. Ozer, M. Zhou, and F. Uckun. 1999. X-ray structure of glycerol kinase complexed with an ATP analog implies a novel mechanism for the ATP-dependent glycerol phosphorylation by glycerol kinase. Biochem. Biophys. Res. Commun. 259:640-644.
-
(1999)
Biochem. Biophys. Res. Commun.
, vol.259
, pp. 640-644
-
-
Mao, C.1
Ozer, Z.2
Zhou, M.3
Uckun, F.4
-
37
-
-
0033523904
-
Mechanical unfolding intermediates in titin modules
-
Marszalek, P. E., H. Lu, H. Li, M. Carrion-Vazquez, A. F. Oberhauser, K. Schulten, and J. M. Fernandez. 1999, Mechanical unfolding intermediates in titin modules. Nature, 402:100-103.
-
(1999)
Nature
, vol.402
, pp. 100-103
-
-
Marszalek, P.E.1
Lu, H.2
Li, H.3
Carrion-Vazquez, M.4
Oberhauser, A.F.5
Schulten, K.6
Fernandez, J.M.7
-
39
-
-
0037684641
-
Evaluation of the adaptive umbrella sampling method
-
Mezei, M. 1989. Evaluation of the adaptive umbrella sampling method. Mol. Sim. 3:301-313.
-
(1989)
Mol. Sim.
, vol.3
, pp. 301-313
-
-
Mezei, M.1
-
40
-
-
0034609808
-
Structural determinants of water permeation through aquaporin-1
-
Murata, K., K. Mitsuoka, T. Hirai, T. Walz, P. Agre, J. B. Heymann, A. Engel, and Y. Fujiyoshi. 2000. Structural determinants of water permeation through aquaporin-1. Nature:407:599-605.
-
(2000)
Nature
, vol.407
, pp. 599-605
-
-
Murata, K.1
Mitsuoka, K.2
Hirai, T.3
Walz, T.4
Agre, P.5
Heymann, J.B.6
Engel, A.7
Fujiyoshi, Y.8
-
41
-
-
0029633187
-
MDScope - A visual computing environment for structural biology
-
Nelson, M., W. Humphrey, A. Gursoy, A. Dalke, L. Kalé, R. Skeel, K. Schulten, and R. Kufrin. 1995. MDScope - a visual computing environment for structural biology. Comp. Phys. Comm. 91:111-134.
-
(1995)
Comp. Phys. Comm.
, vol.91
, pp. 111-134
-
-
Nelson, M.1
Humphrey, W.2
Gursoy, A.3
Dalke, A.4
Kalé, L.5
Skeel, R.6
Schulten, K.7
Kufrin, R.8
-
42
-
-
0035979710
-
Atomic structure of a glycerol channel and implications for substrate permeation in aqua(glycero)porins
-
Nollert, P., W. E. C. Harries, D. Fu, L. J. W. Miercke, and R. M. Stroud. 2001. Atomic structure of a glycerol channel and implications for substrate permeation in aqua(glycero)porins. FEBS Lett. 504:112-117.
-
(2001)
FEBS Lett.
, vol.504
, pp. 112-117
-
-
Nollert, P.1
Harries, W.E.C.2
Fu, D.3
Miercke, L.J.W.4
Stroud, R.M.5
-
43
-
-
0032564319
-
Crystal structure of a complex of Escherichia coli glycerol kinase and an allosteric effector fructose 1,6-biphosphate
-
Ormö, M., C. E. Bystrom, and S. J. Remington. 1998. Crystal structure of a complex of Escherichia coli glycerol kinase and an allosteric effector fructose 1,6-biphosphate. Biochemistry. 37:16565-16572.
-
(1998)
Biochemistry
, vol.37
, pp. 16565-16572
-
-
Ormö, M.1
Bystrom, C.E.2
Remington, S.J.3
-
44
-
-
0032518195
-
Conserved active site aspartates and domain-domain interactions in regulatory properties of the sugar kinase superfamily
-
Pettigrew, D. W., G. B. Smith, K. P. Thomas, and D. C. Dodds. 1998. Conserved active site aspartates and domain-domain interactions in regulatory properties of the sugar kinase superfamily. Arch. Biochem. Biophys. 349:236-245.
-
(1998)
Arch. Biochem. Biophys.
, vol.349
, pp. 236-245
-
-
Pettigrew, D.W.1
Smith, G.B.2
Thomas, K.P.3
Dodds, D.C.4
-
45
-
-
0032666923
-
A virtual environment for steered molecular dynamics
-
Prins, J. F., J. Hermans, G. Mann, L. S. Nyland, and M. Simons. 1999. A virtual environment for steered molecular dynamics. Fut. Gen. Comp. Sys. 15:485-495.
-
(1999)
Fut. Gen. Comp. Sys.
, vol.15
, pp. 485-495
-
-
Prins, J.F.1
Hermans, J.2
Mann, G.3
Nyland, L.S.4
Simons, M.5
-
46
-
-
0031165738
-
Interactive molecular dynamics
-
Rapaport, D. C. 1997. Interactive molecular dynamics. Physica A. 240:246-254.
-
(1997)
Physica A
, vol.240
, pp. 246-254
-
-
Rapaport, D.C.1
-
47
-
-
0015428973
-
Importance of facilitated diffusion for effective utilization of glycerol by Escherichia coli
-
Richey, D. P., and E. C. C. Lin. 1972. Importance of facilitated diffusion for effective utilization of glycerol by Escherichia coli. J. Bacteriol. 112:784-790.
-
(1972)
J. Bacteriol.
, vol.112
, pp. 784-790
-
-
Richey, D.P.1
Lin, E.C.C.2
-
48
-
-
0025233875
-
Signal transduction by the bacterial phosphotransferase system
-
Roseman, S., and N. D. Meadow. 1990. Signal transduction by the bacterial phosphotransferase system. J. Biol. Chem. 265:2993-2996.
-
(1990)
J. Biol. Chem.
, vol.265
, pp. 2993-2996
-
-
Roseman, S.1
Meadow, N.D.2
-
49
-
-
0036280795
-
Computational studies of the gramicidin channel
-
Roux, B. 2002. Computational studies of the gramicidin channel. Acc. Chem. Res. 35:366-375.
-
(2002)
Acc. Chem. Res.
, vol.35
, pp. 366-375
-
-
Roux, B.1
-
50
-
-
33646940952
-
Numerical integration of the Cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes
-
Ryckaert, J.-P., G. Ciccotti, and H. J. C. Berendsen. 1977. Numerical integration of the Cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes. J. Comp. Phys. 23:327-341.
-
(1977)
J. Comp. Phys.
, vol.23
, pp. 327-341
-
-
Ryckaert, J.-P.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
51
-
-
0035013784
-
A system for interactive molecular dynamics simulation
-
J. F. Hughes and C. H. Séquin, editors. New York. ACM SIGGRAPH, New York
-
Stone, J., J. Gullingsrud, P. Grayson, and K, Schulten. 2001. A system for interactive molecular dynamics simulation. In The 2001 ACM Symposium on Interactive 3D Graphics. J. F. Hughes and C. H. Séquin, editors. New York. ACM SIGGRAPH, New York. pp.191-194.
-
(2001)
The 2001 ACM Symposium on Interactive 3D Graphics
, pp. 191-194
-
-
Stone, J.1
Gullingsrud, J.2
Grayson, P.3
Schulten, K.4
-
52
-
-
0035924329
-
Structural basis of water-specific transport through the AQP1 water channel
-
Sui, H., B.-G. Han, J. K. Lee, P. Walian, and B. K. Jap. 2001. Structural basis of water-specific transport through the AQP1 water channel. Nature. 414:872-878.
-
(2001)
Nature
, vol.414
, pp. 872-878
-
-
Sui, H.1
Han, B.-G.2
Lee, J.K.3
Walian, P.4
Jap, B.K.5
-
53
-
-
0036107851
-
Towards a general model for protein-substrate stereoselectivity
-
Sundaresan, V., and R. Abrol. 2002. Towards a general model for protein-substrate stereoselectivity. Prot. Sci. 11:1330-1339.
-
(2002)
Prot. Sci.
, vol.11
, pp. 1330-1339
-
-
Sundaresan, V.1
Abrol, R.2
-
54
-
-
0037134267
-
Control of the selectivity of the aquaporin water channel family by global orientational tuning
-
Tajkhorshid, E., P. Nollert, M. Ø. Jensen, L. J. W. Miercke, J. O'Connell, R. M. Stroud, and K. Schulten. 2002. Control of the selectivity of the aquaporin water channel family by global orientational tuning. Science. 296:525-530.
-
(2002)
Science
, vol.296
, pp. 525-530
-
-
Tajkhorshid, E.1
Nollert, P.2
Jensen, M.Ø.3
Miercke, L.J.W.4
O'Connell, J.5
Stroud, R.M.6
Schulten, K.7
-
55
-
-
85031150671
-
-
Taylor II, R. M. 1998. VRPN: virtual reality peripheral network. http://www.cs.unc.edu/Research/vrpn.
-
(1998)
-
-
Taylor R.M. II1
-
56
-
-
0015875125
-
Catalytic and allosteric properties of glycerol kinase from Escherichia coli
-
Thorner, J. W., and H. Paulus. 1973. Catalytic and allosteric properties of glycerol kinase from Escherichia coli. J. Biol. Chem. 248:3922-3932.
-
(1973)
J. Biol. Chem.
, vol.248
, pp. 3922-3932
-
-
Thorner, J.W.1
Paulus, H.2
-
57
-
-
0342929614
-
Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling
-
Torrie and Valleau. 1977. Nonphysical sampling distributions in Monte Carlo free-energy estimation: umbrella sampling. J. Comp. Phys. 23:187-199.
-
(1977)
J. Comp. Phys.
, vol.23
, pp. 187-199
-
-
Torrie1
Valleau2
-
58
-
-
0027410583
-
Glycerol kinase of Escherichia coli is activated by interaction with the glycerol facilitator
-
Voegle, R. T., G. D. Sweet, and W. Boos. 1993. Glycerol kinase of Escherichia coli is activated by interaction with the glycerol facilitator. J. Bacteriol. 175:1087-1094.
-
(1993)
J. Bacteriol.
, vol.175
, pp. 1087-1094
-
-
Voegle, R.T.1
Sweet, G.D.2
Boos, W.3
-
59
-
-
0035446827
-
Quick and easy interactive molecular dynamics using Java3D
-
Vormoor, O. 2001. Quick and easy interactive molecular dynamics using Java3D. Comp. Sci. Eng. 3:98-104.
-
(2001)
Comp. Sci. Eng.
, vol.3
, pp. 98-104
-
-
Vormoor, O.1
-
60
-
-
0033136019
-
Investigating a back door mechanism of actin phosphate release by steered molecular dynamics
-
Wriggers, W., and K. Schulten. 1999. Investigating a back door mechanism of actin phosphate release by steered molecular dynamics. Prot. Struct. Func. Gen. 35:262-273.
-
(1999)
Prot. Struct. Func. Gen.
, vol.35
, pp. 262-273
-
-
Wriggers, W.1
Schulten, K.2
-
61
-
-
0035979666
-
Molecular dynamics study of aquaporin-1 water channel in a lipid bilayer
-
Zhu, F., E. Tajkhorshid, and K. Schulten. 2001. Molecular dynamics study of aquaporin-1 water channel in a lipid bilayer. FEBS Lett. 504:212-218.
-
(2001)
FEBS Lett.
, vol.504
, pp. 212-218
-
-
Zhu, F.1
Tajkhorshid, E.2
Schulten, K.3
-
62
-
-
0036280776
-
Pressure-induced water transport in membrane channels studied by molecular dynamics
-
Zhu, F., E. Tajkhorshid, and K. Schulten. 2002. Pressure-induced water transport in membrane channels studied by molecular dynamics. Biophys. J. 83:154-160.
-
(2002)
Biophys. J.
, vol.83
, pp. 154-160
-
-
Zhu, F.1
Tajkhorshid, E.2
Schulten, K.3
-
63
-
-
0014802916
-
Glycerol kinase, the pacemaker for the dissimilation of glycerol in Escherichia coli
-
Zwaig, N., W. S. Kistler, and E. C. C. Lin. 1970. Glycerol kinase, the pacemaker for the dissimilation of glycerol in Escherichia coli. J. Bacteriol. 102:753-759.
-
(1970)
J. Bacteriol.
, vol.102
, pp. 753-759
-
-
Zwaig, N.1
Kistler, W.S.2
Lin, E.C.C.3
|