-
1
-
-
35748971482
-
Bone structure and formation: A new perspective
-
Olszta, M. J.; Cheng, X.; Jee, S. S.; Kumar, R.; Kim, Y.-Y.; Kaufman, M. J.; Douglas, E. P.; Gower, L. B. Bone structure and formation: A new perspective Mater. Sci. Eng., R 2007, 58, 77-116 10.1016/j.mser.2007.05.001
-
(2007)
Mater. Sci. Eng., R
, vol.58
, pp. 77-116
-
-
Olszta, M.J.1
Cheng, X.2
Jee, S.S.3
Kumar, R.4
Kim, Y.-Y.5
Kaufman, M.J.6
Douglas, E.P.7
Gower, L.B.8
-
2
-
-
0346753799
-
Bioinspired organic-inorganic composite materials prepared by an alternate soaking process as a tissue reconstitution matrix
-
Ogomi, D.; Serizawa, T.; Akashi, M. Bioinspired organic-inorganic composite materials prepared by an alternate soaking process as a tissue reconstitution matrix J. Biomed. Mater. Res. 2003, 67A, 1360-1366 10.1002/jbm.a.20053
-
(2003)
J. Biomed. Mater. Res.
, vol.67
, pp. 1360-1366
-
-
Ogomi, D.1
Serizawa, T.2
Akashi, M.3
-
3
-
-
43049147592
-
Investigation of nanocomposites based on hydrated calcium phosphates and cellulose Acetobacter xylinum
-
Khripunov, A. K.; Baklagina, Yu.G.; Sinyaev, V. A.; Shustikova, E. S.; Paramanov, B. A.; Romanov, D. P.; Smyslov, R.Yu.; Tkachenko, A. A. Investigation of nanocomposites based on hydrated calcium phosphates and cellulose Acetobacter xylinum Glass Phys. Chem. 2008, 34, 192-200 10.1134/S1087659608020132
-
(2008)
Glass Phys. Chem.
, vol.34
, pp. 192-200
-
-
Khripunov, A.K.1
Baklagina, G.Yu.2
Sinyaev, V.A.3
Shustikova, E.S.4
Paramanov, B.A.5
Romanov, D.P.6
Smyslov, R.Yu.7
Tkachenko, A.A.8
-
4
-
-
84871134173
-
Hydroxyapatite bioactivated bacterial cellulose promotes osteoblast growth and the formation of bone nodules
-
Tazi, N.; Zhang, Z.; Messaddeq, Y.; Almeida-Lopes, L.; Zanardi, L. M.; Levinson, D.; Rouabhia, M. Hydroxyapatite bioactivated bacterial cellulose promotes osteoblast growth and the formation of bone nodules AMB Express 2012, 2, 61-71 10.1186/2191-0855-2-61
-
(2012)
AMB Express
, vol.2
, pp. 61-71
-
-
Tazi, N.1
Zhang, Z.2
Messaddeq, Y.3
Almeida-Lopes, L.4
Zanardi, L.M.5
Levinson, D.6
Rouabhia, M.7
-
5
-
-
0031599129
-
Production and application of microbial cellulose
-
Jonas, R.; Farah, L. F. Production and application of microbial cellulose Polym. Degrad. Stab. 1998, 59, 101-106 10.1016/S0141-3910(97)00197-3
-
(1998)
Polym. Degrad. Stab.
, vol.59
, pp. 101-106
-
-
Jonas, R.1
Farah, L.F.2
-
6
-
-
0024736654
-
The structure and mechanical properties of sheet prepared from bacterial cellulose
-
Yamanaka, S.; Watanabe, K.; Kitamura, N.; Iguchi, M.; Mitsuhashi, S.; Nishi, Y.; Uryu, M. The structure and mechanical properties of sheet prepared from bacterial cellulose J. Mater. Sci. 1989, 24, 3141-3145 10.1007/BF01139032
-
(1989)
J. Mater. Sci.
, vol.24
, pp. 3141-3145
-
-
Yamanaka, S.1
Watanabe, K.2
Kitamura, N.3
Iguchi, M.4
Mitsuhashi, S.5
Nishi, Y.6
Uryu, M.7
-
7
-
-
28744448243
-
Mechanical properties of bacterial cellulose and interactions with smooth muscle cells
-
Backdahl, H.; Helenius, G.; Bodin, A.; Nannmark, U.; Johansson, B. R.; Risberg, B.; Gatenholm, P. Mechanical properties of bacterial cellulose and interactions with smooth muscle cells Biomaterials 2006, 27, 2141-2149 10.1016/j.biomaterials.2005.10.026
-
(2006)
Biomaterials
, vol.27
, pp. 2141-2149
-
-
Backdahl, H.1
Helenius, G.2
Bodin, A.3
Nannmark, U.4
Johansson, B.R.5
Risberg, B.6
Gatenholm, P.7
-
9
-
-
81555220906
-
Bacterial Cellulose - Hydroxyapatite Nanocomposites for Bone Regeneration
-
Saska, S.; Barud, H. S.; Gaspar, M. M.; Marchetto, R.; Ribeiro, J. L.; Messaddeq, Y. Bacterial Cellulose-Hydroxyapatite Nanocomposites for Bone Regeneration Int. J. Biomater. 2011, 2011, 1-8 10.1155/2011/175362
-
(2011)
Int. J. Biomater.
, vol.2011
, pp. 1-8
-
-
Saska, S.1
Barud, H.S.2
Gaspar, M.M.3
Marchetto, R.4
Ribeiro, J.L.5
Messaddeq, Y.6
-
10
-
-
33947270835
-
Surface functional group dependent apatite formation on bacterial cellulose microfibrils network in a simulated body fluid
-
Nge, T. T.; Sugiyama, J. Surface functional group dependent apatite formation on bacterial cellulose microfibrils network in a simulated body fluid J. Biomed. Mater. Res., Part A 2007, 81, 124-134 10.1002/jbm.a.31020
-
(2007)
J. Biomed. Mater. Res., Part A
, vol.81
, pp. 124-134
-
-
Nge, T.T.1
Sugiyama, J.2
-
11
-
-
34247179163
-
Biomimetic synthesis of hydroxyapatite/bacterial cellulose nanocomposites for biomedical applications
-
Wan, Y. Z.; Huang, Y.; Yuan, C. D.; Raman, S.; Zhu, Y.; Jiang, H. J.; He, F.; Gao, C. Biomimetic synthesis of hydroxyapatite/bacterial cellulose nanocomposites for biomedical applications Mater. Sci. Eng., C 2007, 27, 855-864 10.1016/j.msec.2006.10.002
-
(2007)
Mater. Sci. Eng., C
, vol.27
, pp. 855-864
-
-
Wan, Y.Z.1
Huang, Y.2
Yuan, C.D.3
Raman, S.4
Zhu, Y.5
Jiang, H.J.6
He, F.7
Gao, C.8
-
12
-
-
84927678872
-
Bacterial Cellulose-Based Biomimetic Composites
-
Nge, T. T.; Sugiyama, J.; Bulone, V. Bacterial Cellulose-Based Biomimetic Composites Biopolymers 2010, 346-368 10.5772/10269
-
(2010)
Biopolymers
, pp. 346-368
-
-
Nge, T.T.1
Sugiyama, J.2
Bulone, V.3
-
13
-
-
33747064167
-
Biomimetic synthesis of calcium-deficient hydroxyapatite in a natural hydrogel
-
Hutchens, A. S.; Benson, S. R.; Evans, R. B.; Oneill, H.; Rawn, J. C. Biomimetic synthesis of calcium-deficient hydroxyapatite in a natural hydrogel Biomaterials 2006, 27, 4661-4670 10.1016/j.biomaterials.2006.04.032
-
(2006)
Biomaterials
, vol.27
, pp. 4661-4670
-
-
Hutchens, A.S.1
Benson, S.R.2
Evans, R.B.3
Oneill, H.4
Rawn, J.C.5
-
15
-
-
33747041708
-
Solute-solvent interactions in polysaccharide systems
-
In, 2 nd ed. Academic Press: New York
-
Dobbins, R. J.; Solute-solvent interactions in polysaccharide systems. In Industrial Gums, Polysaccharides and Their Derivatives, 2 nd ed.; Academic Press: New York, 1973; pp 19-25.
-
(1973)
Industrial Gums, Polysaccharides and Their Derivatives
, pp. 19-25
-
-
Dobbins, R.J.1
-
16
-
-
0037036704
-
Crystal Structure and Hydrogen-Bonding System in Cellulose Iβ from Synchrotron X-ray and Neutron Fiber Diffraction
-
Nishiyama, Y.; Langan, P.; Chanzy, H. Crystal Structure and Hydrogen-Bonding System in Cellulose Iβ from Synchrotron X-ray and Neutron Fiber Diffraction J. Am. Chem. Soc. 2002, 124, 9074-9082 10.1021/ja0257319
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 9074-9082
-
-
Nishiyama, Y.1
Langan, P.2
Chanzy, H.3
-
17
-
-
1942418055
-
Biomimetic polymer/apatite composite scaffolds for mineralized tissue engineering
-
Zhang, R.; Ma, P. X. Biomimetic polymer/apatite composite scaffolds for mineralized tissue engineering Macromol. Biosci. 2004, 4, 100-111 10.1002/mabi.200300017
-
(2004)
Macromol. Biosci.
, vol.4
, pp. 100-111
-
-
Zhang, R.1
Ma, P.X.2
-
18
-
-
0036771632
-
Carbohydrate solution simulations: Producing a force field with experimentally consistent primary alcohol rotational frequencies and populations
-
Kuttel, M.; Brady, J. W.; Naidoo, K. J. Carbohydrate solution simulations: producing a force field with experimentally consistent primary alcohol rotational frequencies and populations J. Comput. Chem. 2002, 23, 1236-1243 10.1002/jcc.10119
-
(2002)
J. Comput. Chem.
, vol.23
, pp. 1236-1243
-
-
Kuttel, M.1
Brady, J.W.2
Naidoo, K.J.3
-
19
-
-
0041402820
-
Molecular Mechanics Studies of Celluloses. in "glycosyl Hydrolases for Biomass Conversion
-
Palma, R. et al. Molecular Mechanics Studies of Celluloses. In "Glycosyl Hydrolases for Biomass Conversion" ACS Symp. Ser. 2000, 769, 112-130 10.1021/bk-2001-0769.ch007
-
(2000)
ACS Symp. Ser.
, vol.769
, pp. 112-130
-
-
Palma, R.1
-
20
-
-
84905505694
-
Simulations of the Structure of Cellulose. Computational Modeling in Lignocellulosic Biofuel Production
-
Matthews, J. F.; Himmel, M. E.; Brady, J. W. Simulations of the Structure of Cellulose. Computational Modeling in Lignocellulosic Biofuel Production ACS Symp. Ser. 2010, 1052, 17-53 10.1021/bk-2010-1052.ch002
-
(2010)
ACS Symp. Ser.
, vol.1052
, pp. 17-53
-
-
Matthews, J.F.1
Himmel, M.E.2
Brady, J.W.3
-
22
-
-
84872325117
-
Molecular simulation of surface reorganization and wetting in crystalline cellulose i and II
-
Maurer, R. J.; Sax, A. F.; Ribitsch, V. Molecular simulation of surface reorganization and wetting in crystalline cellulose I and II Cellulose 2013, 20, 25-42 10.1007/s10570-012-9835-9
-
(2013)
Cellulose
, vol.20
, pp. 25-42
-
-
Maurer, R.J.1
Sax, A.F.2
Ribitsch, V.3
-
23
-
-
79960588659
-
Restructuring the crystalline cellulose hydrogen bond network enhances its depolymerization rate
-
Chundawat, S. P. S.; Bellesia, G.; Uppugundla, N.; Da Costa Sousa, L.; Gao, D.; Cheh, A. M.; Agarwal, U. P.; Bianchetti, C. M.; Phillips, G. N.; Langan, P.; Balan, V.; Gnanakaran, S.; Dale, B. E. Restructuring the crystalline cellulose hydrogen bond network enhances its depolymerization rate J. Am. Chem. Soc. 2011, 133, 11163-11174 10.1021/ja2011115
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 11163-11174
-
-
Chundawat, S.P.S.1
Bellesia, G.2
Uppugundla, N.3
Da Costa Sousa, L.4
Gao, D.5
Cheh, A.M.6
Agarwal, U.P.7
Bianchetti, C.M.8
Phillips, G.N.9
Langan, P.10
Balan, V.11
Gnanakaran, S.12
Dale, B.E.13
-
24
-
-
84857069857
-
Comparison of Cellulose Iβ Simulations with Three Carbohydrate Force Fields
-
Matthews, J. F.; Beckham, G. T.; Bergenstrahle-Wohlert, M.; Brady, J. W.; Himmel, M. E.; Crowley, M. F. Comparison of Cellulose Iβ Simulations with Three Carbohydrate Force Fields J. Chem. Theory Comput. 2012, 8, 735-748 10.1021/ct2007692
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 735-748
-
-
Matthews, J.F.1
Beckham, G.T.2
Bergenstrahle-Wohlert, M.3
Brady, J.W.4
Himmel, M.E.5
Crowley, M.F.6
-
26
-
-
79953780010
-
Analysis of twisting of cellulose nanofibrils in atomistic molecular dynamics simulations
-
Paavilainen, S.; Rog, T.; Vattulainen, I. Analysis of twisting of cellulose nanofibrils in atomistic molecular dynamics simulations J. Phys. Chem. B 2011, 115, 3747-3755 10.1021/jp111459b
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 3747-3755
-
-
Paavilainen, S.1
Rog, T.2
Vattulainen, I.3
-
27
-
-
29144531189
-
Computer simulation studies of microcrystalline cellulose Iβ
-
Matthews, J. F.; Skopec, C. E.; Mason, P. E.; Zuccato, P.; Torget, R. W.; Sugiyama, J.; Himmel, M. E.; Brady, J. W. Computer simulation studies of microcrystalline cellulose Iβ Carbohydr. Res. 2006, 341, 138-152 10.1016/j.carres.2005.09.028
-
(2006)
Carbohydr. Res.
, vol.341
, pp. 138-152
-
-
Matthews, J.F.1
Skopec, C.E.2
Mason, P.E.3
Zuccato, P.4
Torget, R.W.5
Sugiyama, J.6
Himmel, M.E.7
Brady, J.W.8
-
28
-
-
33748940468
-
Swelling behavior of the cellulose Iβ crystal models by molecular dynamics
-
Yui, T.; Nishimura, S.; Akiba, S.; Hayashi, S. Swelling behavior of the cellulose Iβ crystal models by molecular dynamics Carbohydr. Res. 2006, 341, 2521-2530 10.1016/j.carres.2006.04.051
-
(2006)
Carbohydr. Res.
, vol.341
, pp. 2521-2530
-
-
Yui, T.1
Nishimura, S.2
Akiba, S.3
Hayashi, S.4
-
29
-
-
55349124614
-
Additive empirical force field for hexopyranose monosaccharides
-
Guvench, O.; Greene, S. N.; Kamath, G.; Brady, J. W.; Venable, R. M.; Pastor, R. W.; Mackerell, A. D. Additive empirical force field for hexopyranose monosaccharides J. Comput. Chem. 2008, 29, 2543-2564 10.1002/jcc.21004
-
(2008)
J. Comput. Chem.
, vol.29
, pp. 2543-2564
-
-
Guvench, O.1
Greene, S.N.2
Kamath, G.3
Brady, J.W.4
Venable, R.M.5
Pastor, R.W.6
Mackerell, A.D.7
-
30
-
-
39049147617
-
GLYCAM06: A generalizable biomolecular force field. Carbohydrates
-
Kirschner, K. N.; Yongye, A. B.; Tschampel, S. M.; Gonzalez-Outeirino, J.; Daniels, C. R.; Foley, B. L.; Woods, R. J. GLYCAM06: A generalizable biomolecular force field. Carbohydrates J. Comput. Chem. 2008, 29, 622-655 10.1002/jcc.20820
-
(2008)
J. Comput. Chem.
, vol.29
, pp. 622-655
-
-
Kirschner, K.N.1
Yongye, A.B.2
Tschampel, S.M.3
Gonzalez-Outeirino, J.4
Daniels, C.R.5
Foley, B.L.6
Woods, R.J.7
-
31
-
-
24144451813
-
A new GROMOS force field for hexopyranose - Based carbohydrates
-
Lins, R. D.; Hunenberger, P. H. A new GROMOS force field for hexopyranose-based carbohydrates J. Comput. Chem. 2005, 26, 1400-1412 10.1002/jcc.20275
-
(2005)
J. Comput. Chem.
, vol.26
, pp. 1400-1412
-
-
Lins, R.D.1
Hunenberger, P.H.2
-
32
-
-
0042296402
-
OPLS all-atom force field for carbohydrates
-
Damm, W.; Frontera, A.; Tirado-Rives, J.; Jorgensen, W. L. OPLS all-atom force field for carbohydrates J. Comput. Chem. 1997, 18, 1955-1970 10.1002/(SICI)1096-987X(199712)18:16<1955::AID-JCC1>3.3.CO;2-A
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 1955-1970
-
-
Damm, W.1
Frontera, A.2
Tirado-Rives, J.3
Jorgensen, W.L.4
-
33
-
-
80052429927
-
Cellulose crystal structure and force fields
-
In, Otanienmi, Espoo, Finland
-
Bergenstrehle, M.; Matthews, J.; Crowley, M.; Brady, J. Cellulose crystal structure and force fields. In Proceedings of International Conference on Nanotechnology for the Forest Production Industry, Otanienmi, Espoo, Finland, 2010.
-
(2010)
Proceedings of International Conference on Nanotechnology for the Forest Production Industry
-
-
Bergenstrehle, M.1
Matthews, J.2
Crowley, M.3
Brady, J.4
-
34
-
-
84881187926
-
Unraveling Cellulose Microfibrils: A Twisted Tale
-
Hadden, J. A.; French, A. D.; Woods, R. J. Unraveling Cellulose Microfibrils: A Twisted Tale Biopolymers 2013, 99, 746-756 10.1002/bip.22279
-
(2013)
Biopolymers
, vol.99
, pp. 746-756
-
-
Hadden, J.A.1
French, A.D.2
Woods, R.J.3
-
35
-
-
84904629503
-
Study of the Process of Mineralization of Nanofibrils of Native Bacterial Cellulose in Solutions of Mineral Ions: Modeling via the Method of Molecular Dynamics
-
Tolmachev, D. A.; Lukasheva, N. V. Study of the Process of Mineralization of Nanofibrils of Native Bacterial Cellulose in Solutions of Mineral Ions: Modeling via the Method of Molecular Dynamics Polym. Sci., Ser. A 2014, 56, 545-557 10.1134/S0965545X14040166
-
(2014)
Polym. Sci., Ser. A
, vol.56
, pp. 545-557
-
-
Tolmachev, D.A.1
Lukasheva, N.V.2
-
36
-
-
0041784950
-
All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
-
MacKerell, A. D. J.; Bashford, D.; Bellott, R. L.; Dunbrack, R. L. J.; Evanseck, J. D.; Field, M. J.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.; Joseph-McCarthy, D.; Kuchnir, L.; Kuczera, K.; Lau, F. T. K.; Mattos, C.; Michnick, S.; Ngo, T.; Nguyen, D. T.; Prodhom, B.; Reiher, W. E., III; Roux, B.; Schlenkrich, M.; Smith, J. C.; Stote, R.; Straub, J.; Watanabe, M.; Wiorkiewicz-Kuczera, J.; Yin, D.; Karplus, M. All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins J. Phys. Chem. B 1998, 102, 3586-3616 10.1021/jp973084f
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 3586-3616
-
-
MacKerell, A.D.J.1
Bashford, D.2
Bellott, R.L.3
Dunbrack, R.L.J.4
Evanseck, J.D.5
Field, M.J.6
Fischer, S.7
Gao, J.8
Guo, H.9
Ha, S.10
Joseph-McCarthy, 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, W.E.20
Roux, B.21
Schlenkrich, M.22
Smith, J.C.23
Stote, R.24
Straub, J.25
Watanabe, M.26
Wiorkiewicz-Kuczera, J.27
Yin, D.28
Karplus, M.29
more..
-
37
-
-
2942622288
-
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew
-
Horn, H. W.; Swope, W. C.; Pitera, J. W.; Madura, J. D.; Dick, T. J.; Hura, G. L.; Head-Gordon, T. Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew J. Chem. Phys. 2004, 120, 9665-9678 10.1063/1.1683075
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 9665-9678
-
-
Horn, H.W.1
Swope, W.C.2
Pitera, J.W.3
Madura, J.D.4
Dick, T.J.5
Hura, G.L.6
Head-Gordon, T.7
-
38
-
-
67650084578
-
Ion Pairing in Molecular Simulations of Aqueous Alkali Halide Solutions
-
Fennell, C. J.; Bizjak, A.; Vlachy, V.; Dill, K. A. Ion Pairing in Molecular Simulations of Aqueous Alkali Halide Solutions J. Phys. Chem. B 2009, 113, 6782-6791 10.1021/jp809782z
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 6782-6791
-
-
Fennell, C.J.1
Bizjak, A.2
Vlachy, V.3
Dill, K.A.4
-
39
-
-
36048956049
-
Molecular Dynamics Simulations of Proteins: Can the Explicit Water Model Be Varied?
-
Nutt, D. R.; Smith, J. C. Molecular Dynamics Simulations of Proteins: Can the Explicit Water Model Be Varied? J. Chem. Theory Comput. 2007, 3, 1550-1560 10.1021/ct700053u
-
(2007)
J. Chem. Theory Comput.
, vol.3
, pp. 1550-1560
-
-
Nutt, D.R.1
Smith, J.C.2
-
40
-
-
0037252789
-
Potential energy function for apatites
-
Hauptmann, S.; Dufner, H.; Brickmann, J.; Kast, S. M.; Berry, R. S. Potential energy function for apatites Phys. Chem. Chem. Phys. 2003, 5, 635-639 10.1039/b208209h
-
(2003)
Phys. Chem. Chem. Phys.
, vol.5
, pp. 635-639
-
-
Hauptmann, S.1
Dufner, H.2
Brickmann, J.3
Kast, S.M.4
Berry, R.S.5
-
41
-
-
0242593434
-
Development and current status of the CHARMM force field for nucleic acids
-
MacKerell, J. A. D.; Banavali, N.; Foloppe, N. Development and current status of the CHARMM force field for nucleic acids Biopolymers 2000, 56, 257-265 10.1002/1097-0282(2000)56:4<257::AID-BIP10029>3.0.CO;2-W
-
(2000)
Biopolymers
, vol.56
, pp. 257-265
-
-
MacKerell, J.A.D.1
Banavali, N.2
Foloppe, N.3
-
42
-
-
46249092554
-
GROMACS 4: Algorithms for Highly Efficient, Load - Balanced, and Scalable Molecular Simulation
-
Hess, B.; Kutzner, C.; Van Der Spoel, D.; Lindahl, E. GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation J. Chem. Theory Comput. 2008, 4, 435-447 10.1021/ct700301q
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 435-447
-
-
Hess, B.1
Kutzner, C.2
Van Der Spoel, D.3
Lindahl, E.4
-
43
-
-
27344454932
-
GROMACS: Fast, Flexible and Free
-
van der Spoel, D.; Lindahl, E.; Hess, B.; Groenhof, G.; Mark, A. E.; Berendsen, H. J. C. GROMACS: Fast, Flexible and Free J. Comput. Chem. 2005, 26, 1701-1718 10.1002/jcc.20291
-
(2005)
J. Comput. Chem.
, vol.26
, pp. 1701-1718
-
-
Van Der Spoel, D.1
Lindahl, E.2
Hess, B.3
Groenhof, G.4
Mark, A.E.5
Berendsen, H.J.C.6
-
44
-
-
0000388705
-
LINCS: A linear constraint solver for molecular simulations
-
Hess, B.; Bekker, H.; Berendsen, H. J. C.; Fraaije, J. G. E. M. LINCS: A linear constraint solver for molecular simulations J. Comput. Chem. 1997, 18, 1463-1472 10.1002/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.3.CO;2-L
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 1463-1472
-
-
Hess, B.1
Bekker, H.2
Berendsen, H.J.C.3
Fraaije, J.G.E.M.4
-
45
-
-
84986440341
-
Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models
-
Miyamoto, S.; Kollman, P. A. Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models J. Comput. Chem. 1992, 13, 952-962 10.1002/jcc.540130805
-
(1992)
J. Comput. Chem.
, vol.13
, pp. 952-962
-
-
Miyamoto, S.1
Kollman, P.A.2
-
46
-
-
0000426725
-
Interface between monoclinic crystalline cellulose and water: Breakdown of the odd/even duplicity
-
Heiner, A. P.; Teleman, O. Interface between monoclinic crystalline cellulose and water: breakdown of the odd/even duplicity Langmuir 1997, 13, 511-518 10.1021/la960886d
-
(1997)
Langmuir
, vol.13
, pp. 511-518
-
-
Heiner, A.P.1
Teleman, O.2
-
47
-
-
0031799657
-
Comparison of the interface between water and 4 surfaces of native crystalline cellulose by molecular-dynamics simulations
-
Heiner, A. P.; Kuutti, L.; Teleman, O. Comparison of the interface between water and 4 surfaces of native crystalline cellulose by molecular-dynamics simulations Carbohydr. Res. 1998, 306, 205-220 10.1016/S0008-6215(97)10053-2
-
(1998)
Carbohydr. Res.
, vol.306
, pp. 205-220
-
-
Heiner, A.P.1
Kuutti, L.2
Teleman, O.3
-
48
-
-
77953446947
-
Interaction between Nanosized Crystalline Components of a Composite Based on Acetobacter Xylinum Cellulose and Calcium Phosphates
-
Baklagina, Yu.G.; Lukasheva, N. V.; Khripunov, A. K.; Klechkovskaya, V. V.; Arkharova, N. A.; Romanov, D. P.; Tolmachev, D. A. Interaction between Nanosized Crystalline Components of a Composite Based on Acetobacter Xylinum Cellulose and Calcium Phosphates Polym. Sci., Ser. A 2010, 52, 419-429 10.1134/S0965545X10040115
-
(2010)
Polym. Sci., Ser. A
, vol.52
, pp. 419-429
-
-
Baklagina, G.Yu.1
Lukasheva, N.V.2
Khripunov, A.K.3
Klechkovskaya, V.V.4
Arkharova, N.A.5
Romanov, D.P.6
Tolmachev, D.A.7
-
49
-
-
84866395366
-
Interactions Binding Mineral and Organic Phases in Nanocomposites Based on Bacterial Cellulose and Calcium Phosphates
-
Tolmachev, D. A.; Lukasheva, N. V. Interactions Binding Mineral and Organic Phases in Nanocomposites Based on Bacterial Cellulose and Calcium Phosphates Langmuir 2012, 28, 13473-13484 10.1021/la302418x
-
(2012)
Langmuir
, vol.28
, pp. 13473-13484
-
-
Tolmachev, D.A.1
Lukasheva, N.V.2
-
51
-
-
0002399962
-
Generic mechanism of heterogeneous nucleation and molecular interfacial effects. in Advances in Crystal Growth Research
-
Liu, X. Y. Generic mechanism of heterogeneous nucleation and molecular interfacial effects. In Advances in Crystal Growth Research Elseiver Science B: Amsterdam 2001, 42-46 10.1016/B978-044450747-1/50030-2
-
(2001)
Elseiver Science B: Amsterdam
, pp. 42-46
-
-
Liu, X.Y.1
-
53
-
-
0031640676
-
Characterization of cellulose surface free energy
-
Dourado, F.; Gama, F. M.; Chibowski, E.; Mota, M. Characterization of cellulose surface free energy J. Adhes. Sci. Technol. 1998, 12, 1081-1090 10.1163/156856198X00740
-
(1998)
J. Adhes. Sci. Technol.
, vol.12
, pp. 1081-1090
-
-
Dourado, F.1
Gama, F.M.2
Chibowski, E.3
Mota, M.4
-
54
-
-
79951664504
-
Synthesis and characterization of biomimetic hydroxyapatite/sepiolite nanocomposites
-
Wan, C.; Chen, B. Synthesis and characterization of biomimetic hydroxyapatite/sepiolite nanocomposites Nanoscale 2011, 3, 693-700 10.1039/C0NR00650E
-
(2011)
Nanoscale
, vol.3
, pp. 693-700
-
-
Wan, C.1
Chen, B.2
-
55
-
-
0242384206
-
The structure of CaCl2 aqueous solutions over a wide range of concentration. Interpretation of diffraction experiments via molecular simulation
-
Chialvo, A. A.; Simonson, J. M. The structure of CaCl2 aqueous solutions over a wide range of concentration. Interpretation of diffraction experiments via molecular simulation J. Chem. Phys. 2003, 119, 8052-8061 10.1063/1.1610443
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 8052-8061
-
-
Chialvo, A.A.1
Simonson, J.M.2
-
56
-
-
0000080456
-
Comment on "mean Force Potential for the Calcium-Chloride Ion Pair in Water
-
Dang, L. X.; Smith, D. E. Comment on "Mean Force Potential For The Calcium-Chloride Ion Pair In Water J. Chem. Phys. 1995, 102, 3483-3484 10.1063/1.468572
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 3483-3484
-
-
Dang, L.X.1
Smith, D.E.2
-
57
-
-
79958081595
-
Ab initio calculation of the potential of mean force for dissociation of aqueous Ca-Cl
-
Timko, J.; De Castro, A.; Kuyucak, S. Ab initio calculation of the potential of mean force for dissociation of aqueous Ca-Cl J. Chem. Phys. 2011, 134, 204510 10.1063/1.3595261
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 204510
-
-
Timko, J.1
De Castro, A.2
Kuyucak, S.3
-
58
-
-
84859520451
-
Note: Interionic potentials of mean force for Ca2+-Cl- in polarizable water
-
Dang, L. X.; Truong, T. B.; Ginovska-Pangovska, B. Note: Interionic potentials of mean force for Ca2+-Cl- in polarizable water J. Chem. Phys. 2012, 136, 126101 10.1063/1.3697840
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 126101
-
-
Dang, L.X.1
Truong, T.B.2
Ginovska-Pangovska, B.3
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