-
1
-
-
77953080085
-
-
Dror, R. O.; Jensen, M. O.; Borhani, D. W.; Shaw, D. E. J. Gen. Physiol. 2010,135, 555.
-
(2010)
J. Gen. Physiol
, vol.135
, pp. 555
-
-
Dror, R.O.1
Jensen, M.O.2
Borhani, D.W.3
Shaw, D.E.4
-
3
-
-
77957937199
-
-
Shaw, D. E.; Maragakis, P.; Lindorff-Larsen, K.; Piana, S.; Dror, R. O.; Eastwood, M. P.; Bank, J. A.; Jumper, J. M.; Salmon, J. K.; Shan, Y. B.; Wriggers, W. Science 2010, 330, 341.
-
(2010)
Science
, vol.330
, pp. 341
-
-
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
-
4
-
-
33746271105
-
-
van Gunsteren, W. F.; Bakowies, D.; Baron, R.; Chandrasekhar, I.; Christen, M.; Daura, X.; Gee, P.; Geerke, D. P.; Glättli, A.; Hünenberger, P. H.; Kastenholz, M. A.; Oostenbrink, C; Schenk, M.; Trzesniak, D.; van der Vegt, N. F. A.; Yu, H. B. B. Angew. Chem. Int. Edit. 2006, 45, 4064.
-
(2006)
Angew. Chem. Int. Edit
, vol.45
, pp. 4064
-
-
van Gunsteren, W.F.1
Bakowies, D.2
Baron, R.3
Chandrasekhar, I.4
Christen, M.5
Daura, X.6
Gee, P.7
Geerke, D.P.8
Glättli, A.9
Hünenberger, P.H.10
Kastenholz, M.A.11
Oostenbrink, C.12
Schenk, M.13
Trzesniak, D.14
van der Vegt, N.F.A.15
Yu, H.B.B.16
-
5
-
-
64649101249
-
-
Klepeis, J. L.; Lindorff-Larsen, K.; Dror, R. O.; Shaw, D. E. Curr. Opin. Struct. Biol. 2009,19, 120.
-
(2009)
Curr. Opin. Struct. Biol
, vol.19
, pp. 120
-
-
Klepeis, J.L.1
Lindorff-Larsen, K.2
Dror, R.O.3
Shaw, D.E.4
-
6
-
-
77957572546
-
-
Freddolino, P. L.; Harrison, C. B.; Liu, Y X.; Schulten, K. Nature Phys. 2010, 6, 751.
-
(2010)
Nature Phys
, vol.6
, pp. 751
-
-
Freddolino, P.L.1
Harrison, C.B.2
Liu, Y.X.3
Schulten, K.4
-
7
-
-
34247600738
-
-
Chemical Industry Press: Beijing
-
Xu, X. J.; Hou, T. J.; Qiao, X. B.; Zhang, W. Computer Aided Drug Design; Chemical Industry Press: Beijing, 2004; pp 169-172.
-
(2004)
Computer Aided Drug Design
, pp. 169-172
-
-
Xu, X.J.1
Hou, T.J.2
Qiao, X.B.3
Zhang, W.4
-
11
-
-
33746606875
-
-
Chu, J. W.; Izvekov, S.; Voth, G. A. Mol. Sim. 2006, 32, 211.
-
(2006)
Mol. Sim
, vol.32
, pp. 211
-
-
Chu, J.W.1
Izvekov, S.2
Voth, G.A.3
-
12
-
-
1642485164
-
-
Marrink, S. J.; de Vries, A. H.; Mark, A. E. J. Phys. Chem. B 2004, 108, 750.
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 750
-
-
Marrink, S.J.1
de Vries, A.H.2
Mark, A.E.3
-
17
-
-
0001107036
-
-
Cleaver, D. J.; Care, C. M.; Allen, M. P.; Neal, M. P. Phys. Rev. E 1996, 54, 559.
-
(1996)
Phys. Rev. E
, vol.54
, pp. 559
-
-
Cleaver, D.J.1
Care, C.M.2
Allen, M.P.3
Neal, M.P.4
-
23
-
-
0004179874
-
-
3rd ed; John Wiley & Sons Inc.: New York
-
Jackson, J. D. Classical Electrodynamics, 3rd ed; John Wiley & Sons Inc.: New York, 1999; pp 145-150.
-
(1999)
Classical Electrodynamics
, pp. 145-150
-
-
Jackson, J.D.1
-
25
-
-
33747312433
-
-
Package 5.1; Washington University Medical School
-
Ponder, J. W. TINKER Molecular Modeling, Package 5.1; Washington University Medical School.
-
TINKER Molecular Modeling
-
-
Ponder, J.W.1
-
26
-
-
33846823909
-
-
Darden, T.; York, D.; Pedersen, L. G. J. Chem. Phys. 1993, 98, 10089.
-
(1993)
J. Chem. Phys
, vol.98
, pp. 10089
-
-
Darden, T.1
York, D.2
Pedersen, L.G.3
-
27
-
-
0942288583
-
-
Sagui, C.; Pedersen, L. G.; Darden, T. A. J. Chem. Phys. 2004, 120, 73.
-
(2004)
J. Chem. Phys
, vol.120
, pp. 73
-
-
Sagui, C.1
Pedersen, L.G.2
Darden, T.A.3
-
29
-
-
2942532422
-
-
Wang, J. M.; Wolf, R. M.; Caldwell, W. J.; Kollman, P. A.; Case, D. A. J. Comput. Chem. 2004, 25, 1157.
-
(2004)
J. Comput. Chem
, vol.25
, pp. 1157
-
-
Wang, J.M.1
Wolf, R.M.2
Caldwell, W.J.3
Kollman, P.A.4
Case, D.A.5
-
30
-
-
33746347382
-
-
Yang, L. J.; Tan, C. H.; Hsieh, M. J.; Wang, J. M.; Duan, Y.; Cieplak, P.; Caldwell, W. J.; Kollman, P. A.; Luo, R. J. Phys. Chem. B 2006, 110, 13166.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 13166
-
-
Yang, L.J.1
Tan, C.H.2
Hsieh, M.J.3
Wang, J.M.4
Duan, Y.5
Cieplak, P.6
Caldwell, W.J.7
Kollman, P.A.8
Luo, R.9
-
31
-
-
0038626673
-
-
Revision A.01; Gaussian Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; et al. Gaussian 03, Revision A.01; Gaussian Inc.: Pittsburgh, PA, 2003.
-
(2003)
Gaussian 03
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.3
-
33
-
-
41549097838
-
-
Golubkov, P. A.; Wu, J. C.; Ren, P. Y. Phys. Chem. Chem. Phys. 2008, 10, 2050.
-
(2050)
Phys. Chem. Chem. Phys
, vol.10
, pp. 2008
-
-
Golubkov, P.A.1
Wu, J.C.2
Ren, P.Y.3
|