-
1
-
-
0017776823
-
-
McCammon, J. A.; Gelin, B. R.; Karplus, M. Nature 1977, 267, 585-590
-
(1977)
Nature
, vol.267
, pp. 585-590
-
-
McCammon, J.A.1
Gelin, B.R.2
Karplus, M.3
-
4
-
-
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. 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.10
-
5
-
-
79551682100
-
-
Bowman, G. R.; Voelz, V. A.; Pande, V. S. Curr. Opin. Struct. Biol. 2010, 21, 4-11
-
(2010)
Curr. Opin. Struct. Biol.
, vol.21
, pp. 4-11
-
-
Bowman, G.R.1
Voelz, V.A.2
Pande, V.S.3
-
6
-
-
77957572546
-
-
Freddolino, P. L.; Harrison, C. B.; Liu, Y.; Schulten, K. Nat. Phys. 2010, 6, 751-758
-
(2010)
Nat. Phys.
, vol.6
, pp. 751-758
-
-
Freddolino, P.L.1
Harrison, C.B.2
Liu, Y.3
Schulten, K.4
-
7
-
-
34249930405
-
-
Scheraga, H. A.; Khalili, M.; Liwo, A. Annu. Rev. Phys. Chem. 2007, 58, 57-83
-
(2007)
Annu. Rev. Phys. Chem.
, vol.58
, pp. 57-83
-
-
Scheraga, H.A.1
Khalili, M.2
Liwo, A.3
-
8
-
-
48249134448
-
-
Dill, K. A.; Ozkan, S. B.; Shell, M. S.; Weikl, T. R. Annu. Rev. Biophys. 2008, 37, 289-316
-
(2008)
Annu. Rev. Biophys.
, vol.37
, pp. 289-316
-
-
Dill, K.A.1
Ozkan, S.B.2
Shell, M.S.3
Weikl, T.R.4
-
9
-
-
34248549336
-
-
Cellmer, T.; Bratko, D.; Prausnitz, J. M.; Blanch, H. W. Trends Biotechnol. 2007, 25, 254-261
-
(2007)
Trends Biotechnol.
, vol.25
, pp. 254-261
-
-
Cellmer, T.1
Bratko, D.2
Prausnitz, J.M.3
Blanch, H.W.4
-
10
-
-
34548146523
-
-
Periole, X.; Huber, T.; Marrink, S. J.; Sakmar, T. P. J. Am. Chem. Soc. 2007, 129, 10126-10132
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 10126-10132
-
-
Periole, X.1
Huber, T.2
Marrink, S.J.3
Sakmar, T.P.4
-
11
-
-
3142714765
-
-
MacKerell, A. D.; Feig, M.; Brooks, C. L. J. Comput. Chem. 2004, 25, 1400-1415
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1400-1415
-
-
MacKerell, A.D.1
Feig, M.2
Brooks, C.L.3
-
12
-
-
33748518255
-
-
Hornak, V.; Abel, R.; Okur, A.; Strockbine, B.; Roitberg, A.; Simmerling, C. Proteins: Struct., Funct., Bioinf. 2006, 65, 712-725
-
(2006)
Proteins: Struct., Funct., Bioinf.
, vol.65
, pp. 712-725
-
-
Hornak, V.1
Abel, R.2
Okur, A.3
Strockbine, B.4
Roitberg, A.5
Simmerling, C.6
-
13
-
-
79959713919
-
-
Schmid, N.; Eichenberger, A. P.; Choutko, A.; Riniker, S.; Winger, M.; Mark, A. E.; van Gunsteren, W. F. Eur. Biophys. J. 2011, 40, 843-856
-
(2011)
Eur. Biophys. J.
, vol.40
, pp. 843-856
-
-
Schmid, N.1
Eichenberger, A.P.2
Choutko, A.3
Riniker, S.4
Winger, M.5
Mark, A.E.6
Van Gunsteren, W.F.7
-
14
-
-
0029912748
-
-
Jorgensen, W. L.; Maxwell, D. S.; Tirado-Rives, J. J. Am. Chem. Soc. 1996, 118, 11225-11236
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 11225-11236
-
-
Jorgensen, W.L.1
Maxwell, D.S.2
Tirado-Rives, J.3
-
15
-
-
0035913529
-
-
Kaminski, G. A.; Friesner, R. A.; Tirado-Rives, J.; Jorgensen, W. L. J. Phys. Chem. B 2001, 105, 6474-6487
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 6474-6487
-
-
Kaminski, G.A.1
Friesner, R.A.2
Tirado-Rives, J.3
Jorgensen, W.L.4
-
16
-
-
4444282928
-
-
Oostenbrink, C.; Villa, A.; Mark, A. E.; van Gunsteren, W. F. J. Comput. Chem. 2004, 25, 1656-1676
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1656-1676
-
-
Oostenbrink, C.1
Villa, A.2
Mark, A.E.3
Van Gunsteren, W.F.4
-
17
-
-
34547474332
-
-
Marrink, S. J.; Risselada, H. J.; Yefimov, S.; Tieleman, D. P.; de Vries, A. H. J. Phys. Chem. B 2007, 111, 7812-7824
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 7812-7824
-
-
Marrink, S.J.1
Risselada, H.J.2
Yefimov, S.3
Tieleman, D.P.4
De Vries, A.H.5
-
18
-
-
49449113010
-
-
Monticelli, L.; Kandasamy, S. K.; Periole, X.; Larson, R. G.; Tieleman, D. P.; Marrink, S. J. J. Chem. Theory Comput. 2008, 4, 819-834
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 819-834
-
-
Monticelli, L.1
Kandasamy, S.K.2
Periole, X.3
Larson, R.G.4
Tieleman, D.P.5
Marrink, S.J.6
-
20
-
-
65949085330
-
-
Betancourt, M. Proteins: Struct., Funct., Bioinf. 2009, 76, 72-85
-
(2009)
Proteins: Struct., Funct., Bioinf.
, vol.76
, pp. 72-85
-
-
Betancourt, M.1
-
21
-
-
0030736114
-
-
Ben-Tal, N.; Sitkoff, D.; Topol, I. A.; Yang, A. S.; Burt, S. K.; Honig, B. J. Phys. Chem. B 1997, 101, 450-457
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 450-457
-
-
Ben-Tal, N.1
Sitkoff, D.2
Topol, I.A.3
Yang, A.S.4
Burt, S.K.5
Honig, B.6
-
22
-
-
0032960853
-
-
Miyazawa, S.; Jernigan, R. L. Proteins: Struct., Funct., Bioinf. 1999, 34, 49-68
-
(1999)
Proteins: Struct., Funct., Bioinf.
, vol.34
, pp. 49-68
-
-
Miyazawa, S.1
Jernigan, R.L.2
-
23
-
-
46249092554
-
-
Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E. J. Chem. Theory Comput. 2008, 4, 435-447
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 435-447
-
-
Hess, B.1
Kutzner, C.2
Van Der Spoel, D.3
Lindahl, E.4
-
24
-
-
0004067382
-
-
Pullman, B. Reidel: Dordrecht, The Netherlands
-
Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; Hermans, J. In Intermolecular Forces; Pullman, B., Ed.; Reidel: Dordrecht, The Netherlands, 1981; pp 331-342.
-
(1981)
Intermolecular Forces
, pp. 331-342
-
-
Berendsen, H.J.C.1
Postma, J..P.M.2
Van Gunsteren, W.F.3
Hermans, J.4
-
25
-
-
84961979135
-
-
Garrido, N. M.; Queimada, A. J.; Jorge, M.; Macedo, E. A.; Economou, I. G. J. Chem. Theory Comput. 2009, 5, 2436-2446
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 2436-2446
-
-
Garrido, N.M.1
Queimada, A.J.2
Jorge, M.3
MacEdo, E.A.4
Economou, I.G.5
-
26
-
-
4544369164
-
-
Tironi, I. G.; Sperb, R.; Smith, P. E.; van Gunsteren, W. F. J. Chem. Phys. 1995, 102, 5451-5459
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 5451-5459
-
-
Tironi, I.G.1
Sperb, R.2
Smith, P.E.3
Van Gunsteren, W.F.4
-
27
-
-
77955503561
-
-
Yesylevskyy, S. O.; Schäfer, L. V.; Sengupta, D.; Marrink, S. J. PLoS Comput. Biol. 2010, 6, 1-17
-
(2010)
PLoS Comput. Biol.
, vol.6
, pp. 1-17
-
-
Yesylevskyy, S.O.1
Schäfer, L.V.2
Sengupta, D.3
Marrink, S.J.4
-
28
-
-
33750587438
-
-
Berendsen, H. J. C.; Postma, J. P. M; Gunsteren, W. F. V.; DiNola, A.; Haak, J. R. J. Chem. Phys. 1984, 81, 3684-3690
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Gunsteren, W.F.V.3
Dinola, A.4
Haak, J.R.5
-
29
-
-
0000388705
-
-
Hess, B.; Bekker, H.; Berendsen, H. J. C.; Fraaije, J. G. E. M. J. Comput. Chem. 1997, 18, 1463-1472
-
(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
-
30
-
-
79955473820
-
-
de Jong, D. H.; Schäfer, L. V.; de Vries, A. H.; Marrink, S. J.; Berendsen, H. J. C.; Grubmüller, H. J. Comput. Chem. 2011, 32, 1919-1928
-
(2011)
J. Comput. Chem.
, vol.32
, pp. 1919-1928
-
-
De Jong, D.H.1
Schäfer, L.V.2
De Vries, A.H.3
Marrink, S.J.4
Berendsen, H.J.C.5
Grubmüller, H.6
-
31
-
-
0032474777
-
-
Sandberg, M.; Eriksson, L.; Jonsson, J.; Sjöström, M.; Wold, S. J. Med. Chem. 1998, 41, 2481-2491
-
(1998)
J. Med. Chem.
, vol.41
, pp. 2481-2491
-
-
Sandberg, M.1
Eriksson, L.2
Jonsson, J.3
Sjöström, M.4
Wold, S.5
-
32
-
-
34547554898
-
-
Hess, B.; Holm, C.; van der Vegt, N. J. Chem. Phys. 2006, 124, 164509
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 164509
-
-
Hess, B.1
Holm, C.2
Van Der Vegt, N.3
-
33
-
-
0029878720
-
-
Humphrey, W.; Dalke, A.; Schulten, K. J. Mol. Graphics 1996, 14, 33-38
-
(1996)
J. Mol. Graphics
, vol.14
, pp. 33-38
-
-
Humphrey, W.1
Dalke, A.2
Schulten, K.3
-
36
-
-
0242417008
-
-
Castellano, R.; Diederich, F. Angew. Chem., Int. Ed. 2003, 42, 1210-1250
-
(2003)
Angew. Chem., Int. Ed.
, vol.42
, pp. 1210-1250
-
-
Castellano, R.1
Diederich, F.2
|