-
1
-
-
0033024177
-
-
1056-8700 10.1146/annurev.biophys.28.1.155
-
C. Sagui and T. A. Darden, Annu. Rev. Biophys. Biomol. Struct. 1056-8700 10.1146/annurev.biophys.28.1.155 28, 155 (1999); R. M. Levy and E. Gallicchio, Annu. Rev. Phys. Chem. 0066-426X 10.1146/annurev.physchem.49.1.531 49, 531 (1998); J. Norberg and L. Nilsson, Q. Rev. Biophys. 36, 253 (2003).
-
(1999)
Annu. Rev. Biophys. Biomol. Struct.
, vol.28
, pp. 155
-
-
Sagui, C.1
Darden, T.A.2
-
2
-
-
0032233055
-
-
0066-426X 10.1146/annurev.physchem.49.1.531
-
C. Sagui and T. A. Darden, Annu. Rev. Biophys. Biomol. Struct. 1056-8700 10.1146/annurev.biophys.28.1.155 28, 155 (1999); R. M. Levy and E. Gallicchio, Annu. Rev. Phys. Chem. 0066-426X 10.1146/annurev.physchem.49.1.531 49, 531 (1998); J. Norberg and L. Nilsson, Q. Rev. Biophys. 36, 253 (2003).
-
(1998)
Annu. Rev. Phys. Chem.
, vol.49
, pp. 531
-
-
Levy, R.M.1
Gallicchio, E.2
-
3
-
-
33744802588
-
-
C. Sagui and T. A. Darden, Annu. Rev. Biophys. Biomol. Struct. 1056-8700 10.1146/annurev.biophys.28.1.155 28, 155 (1999); R. M. Levy and E. Gallicchio, Annu. Rev. Phys. Chem. 0066-426X 10.1146/annurev.physchem.49.1.531 49, 531 (1998); J. Norberg and L. Nilsson, Q. Rev. Biophys. 36, 253 (2003).
-
(2003)
Q. Rev. Biophys.
, vol.36
, pp. 253
-
-
Norberg, J.1
Nilsson, L.2
-
4
-
-
0042543436
-
-
edited by W. F.Gunsteren, P. K.Weiner, and A. J.Wilkinson (ESCOM, Leiden, Netherlands
-
H. J. C. Berendsen, in Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications, edited by, W. F. Gunsteren, P. K. Weiner, and, A. J. Wilkinson, (ESCOM, Leiden, Netherlands, 1993), 2, pp. 161.
-
(1993)
Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications
, vol.2
, pp. 161
-
-
Berendsen, H.J.C.1
-
7
-
-
4544369164
-
-
0021-9606 10.1063/1.469273
-
I. G. Tironi, R. Sperb, P. E. Smith, and W. F. van Gunsteren, J. Chem. Phys. 0021-9606 10.1063/1.469273 102, 5451 (1995); J. A. Baker and R. O. Watts, Mol. Phys. 26, 789 (1973).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 5451
-
-
Tironi, I.G.1
Sperb, R.2
Smith, P.E.3
Van Gunsteren, W.F.4
-
8
-
-
0001158363
-
-
I. G. Tironi, R. Sperb, P. E. Smith, and W. F. van Gunsteren, J. Chem. Phys. 0021-9606 10.1063/1.469273 102, 5451 (1995); J. A. Baker and R. O. Watts, Mol. Phys. 26, 789 (1973).
-
(1973)
Mol. Phys.
, vol.26
, pp. 789
-
-
Baker, J.A.1
Watts, R.O.2
-
11
-
-
0000951252
-
-
0022-3654 10.1021/jp9614658
-
S. E. Feller, R. W. Pastor, A. Rojnuckarin, S. Bogusz, and B. R. Brooks, J. Phys. Chem. 0022-3654 10.1021/jp9614658 100, 17011 (1996); K. Tasaki, S. McDonald, and J. W. Brady, J. Comput. Chem. 14, 278 (1993).
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 17011
-
-
Feller, S.E.1
Pastor, R.W.2
Rojnuckarin, A.3
Bogusz, S.4
Brooks, B.R.5
-
12
-
-
84912142909
-
-
S. E. Feller, R. W. Pastor, A. Rojnuckarin, S. Bogusz, and B. R. Brooks, J. Phys. Chem. 0022-3654 10.1021/jp9614658 100, 17011 (1996); K. Tasaki, S. McDonald, and J. W. Brady, J. Comput. Chem. 14, 278 (1993).
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 278
-
-
Tasaki, K.1
McDonald, S.2
Brady, J.W.3
-
14
-
-
84986532547
-
-
D. B. Kitchen, F. Hirata, J. D. Westbrook, R. Levy, D. Kofke, and M. Yarmush, J. Comput. Chem. 11, 1169 (1990).
-
(1990)
J. Comput. Chem.
, vol.11
, pp. 1169
-
-
Kitchen, D.B.1
Hirata, F.2
Westbrook, J.D.3
Levy, R.4
Kofke, D.5
Yarmush, M.6
-
19
-
-
12144275299
-
-
0006-2960 10.1021/bi0486381
-
D. A. C. Beck, R. S. Armen, and V. Dagget, Biochemistry 0006-2960 10.1021/bi0486381 44, 609 (2005); E. Fadrná, K. Hladečková, and J. Koča, J. Biomol. Struct. Dyn. 23, 151 (2005).
-
(2005)
Biochemistry
, vol.44
, pp. 609
-
-
Beck, D.A.C.1
Armen, R.S.2
Dagget, V.3
-
20
-
-
25144446366
-
-
D. A. C. Beck, R. S. Armen, and V. Dagget, Biochemistry 0006-2960 10.1021/bi0486381 44, 609 (2005); E. Fadrná, K. Hladečková, and J. Koča, J. Biomol. Struct. Dyn. 23, 151 (2005).
-
(2005)
J. Biomol. Struct. Dyn.
, vol.23
, pp. 151
-
-
Fadrná, E.1
Hladečková, K.2
Koča, J.3
-
22
-
-
0342926714
-
-
0892-7022
-
M. Saito, Mol. Simul. 0892-7022 8, 321 (1992); M. Saito, J. Chem. Phys. 0021-9606 10.1063/1.468411 101, 4055 (1994); K. Oda, H. Miyagawa, and K. Kitamura, Mol. Simul. 0892-7022 16, 167 (1996); J. Guenot and P. A. Kollman, J. Comput. Chem. 0192-8651 10.1002/jcc.540140306 14, 295 (1993); R. J. Loncharich and B. R. Brooks, Proteins 0887-3585 6, 32 (1989); F. Fox and P. A. Kollman, Proteins 25, 315 (1996).
-
(1992)
Mol. Simul.
, vol.8
, pp. 321
-
-
Saito, M.1
-
23
-
-
36449006641
-
-
0021-9606 10.1063/1.468411
-
M. Saito, Mol. Simul. 0892-7022 8, 321 (1992); M. Saito, J. Chem. Phys. 0021-9606 10.1063/1.468411 101, 4055 (1994); K. Oda, H. Miyagawa, and K. Kitamura, Mol. Simul. 0892-7022 16, 167 (1996); J. Guenot and P. A. Kollman, J. Comput. Chem. 0192-8651 10.1002/jcc.540140306 14, 295 (1993); R. J. Loncharich and B. R. Brooks, Proteins 0887-3585 6, 32 (1989); F. Fox and P. A. Kollman, Proteins 25, 315 (1996).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 4055
-
-
Saito, M.1
-
24
-
-
0001013607
-
-
0892-7022
-
M. Saito, Mol. Simul. 0892-7022 8, 321 (1992); M. Saito, J. Chem. Phys. 0021-9606 10.1063/1.468411 101, 4055 (1994); K. Oda, H. Miyagawa, and K. Kitamura, Mol. Simul. 0892-7022 16, 167 (1996); J. Guenot and P. A. Kollman, J. Comput. Chem. 0192-8651 10.1002/jcc.540140306 14, 295 (1993); R. J. Loncharich and B. R. Brooks, Proteins 0887-3585 6, 32 (1989); F. Fox and P. A. Kollman, Proteins 25, 315 (1996).
-
(1996)
Mol. Simul.
, vol.16
, pp. 167
-
-
Oda, K.1
Miyagawa, H.2
Kitamura, K.3
-
25
-
-
10544245628
-
-
0192-8651 10.1002/jcc.540140306
-
M. Saito, Mol. Simul. 0892-7022 8, 321 (1992); M. Saito, J. Chem. Phys. 0021-9606 10.1063/1.468411 101, 4055 (1994); K. Oda, H. Miyagawa, and K. Kitamura, Mol. Simul. 0892-7022 16, 167 (1996); J. Guenot and P. A. Kollman, J. Comput. Chem. 0192-8651 10.1002/jcc.540140306 14, 295 (1993); R. J. Loncharich and B. R. Brooks, Proteins 0887-3585 6, 32 (1989); F. Fox and P. A. Kollman, Proteins 25, 315 (1996).
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 295
-
-
Guenot, J.1
Kollman, P.A.2
-
26
-
-
0024795316
-
-
0887-3585
-
M. Saito, Mol. Simul. 0892-7022 8, 321 (1992); M. Saito, J. Chem. Phys. 0021-9606 10.1063/1.468411 101, 4055 (1994); K. Oda, H. Miyagawa, and K. Kitamura, Mol. Simul. 0892-7022 16, 167 (1996); J. Guenot and P. A. Kollman, J. Comput. Chem. 0192-8651 10.1002/jcc.540140306 14, 295 (1993); R. J. Loncharich and B. R. Brooks, Proteins 0887-3585 6, 32 (1989); F. Fox and P. A. Kollman, Proteins 25, 315 (1996).
-
(1989)
Proteins
, vol.6
, pp. 32
-
-
Loncharich, R.J.1
Brooks, B.R.2
-
27
-
-
0030037332
-
-
M. Saito, Mol. Simul. 0892-7022 8, 321 (1992); M. Saito, J. Chem. Phys. 0021-9606 10.1063/1.468411 101, 4055 (1994); K. Oda, H. Miyagawa, and K. Kitamura, Mol. Simul. 0892-7022 16, 167 (1996); J. Guenot and P. A. Kollman, J. Comput. Chem. 0192-8651 10.1002/jcc.540140306 14, 295 (1993); R. J. Loncharich and B. R. Brooks, Proteins 0887-3585 6, 32 (1989); F. Fox and P. A. Kollman, Proteins 25, 315 (1996).
-
(1996)
Proteins
, vol.25
, pp. 315
-
-
Fox, F.1
Kollman, P.A.2
-
29
-
-
33744830013
-
-
M. Patra, M. Karttunen, M. T. Hyvönen, E. Falck, and I. Vattulainen (unpublished); M. Patra, M. Karttunen, M. T. Hyvönen, E. Falck, P. Lindqvist, and I. Vattulainen, Biophys. J. 0006-3495 84, 3636 (2003); J. Wohlert and O. Edholm, Biophys. J. 87, 2433 (2004).
-
-
-
Patra, M.1
Karttunen, M.2
Hyvönen, M.T.3
Falck, E.4
Vattulainen, I.5
-
30
-
-
0038440700
-
-
0006-3495
-
M. Patra, M. Karttunen, M. T. Hyvönen, E. Falck, and I. Vattulainen (unpublished); M. Patra, M. Karttunen, M. T. Hyvönen, E. Falck, P. Lindqvist, and I. Vattulainen, Biophys. J. 0006-3495 84, 3636 (2003); J. Wohlert and O. Edholm, Biophys. J. 87, 2433 (2004).
-
(2003)
Biophys. J.
, vol.84
, pp. 3636
-
-
Patra, M.1
Karttunen, M.2
Hyvönen, M.T.3
Falck, E.4
Lindqvist, P.5
Vattulainen, I.6
-
31
-
-
16644389728
-
-
M. Patra, M. Karttunen, M. T. Hyvönen, E. Falck, and I. Vattulainen (unpublished); M. Patra, M. Karttunen, M. T. Hyvönen, E. Falck, P. Lindqvist, and I. Vattulainen, Biophys. J. 0006-3495 84, 3636 (2003); J. Wohlert and O. Edholm, Biophys. J. 87, 2433 (2004).
-
(2004)
Biophys. J.
, vol.87
, pp. 2433
-
-
Wohlert, J.1
Edholm, O.2
-
33
-
-
0030601616
-
-
0009-2614 10.1016/0009-2614(96)00997-9
-
A. Brodsky, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(96)00997-9 261, 563 (1996); B. Hess, J. Chem. Phys. 0021-9606 10.1063/1.1421362 116, 209 (2002); C. Pangali, M. Rao, and B. J. Berne, Mol. Phys. 40, 661 (1980).
-
(1996)
Chem. Phys. Lett.
, vol.261
, pp. 563
-
-
Brodsky, A.1
-
34
-
-
0036140611
-
-
0021-9606 10.1063/1.1421362
-
A. Brodsky, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(96)00997-9 261, 563 (1996); B. Hess, J. Chem. Phys. 0021-9606 10.1063/1.1421362 116, 209 (2002); C. Pangali, M. Rao, and B. J. Berne, Mol. Phys. 40, 661 (1980).
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 209
-
-
Hess, B.1
-
35
-
-
0011519067
-
-
A. Brodsky, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(96)00997-9 261, 563 (1996); B. Hess, J. Chem. Phys. 0021-9606 10.1063/1.1421362 116, 209 (2002); C. Pangali, M. Rao, and B. J. Berne, Mol. Phys. 40, 661 (1980).
-
(1980)
Mol. Phys.
, vol.40
, pp. 661
-
-
Pangali, C.1
Rao, M.2
Berne, B.J.3
-
36
-
-
0035958660
-
-
0022-2836
-
D. Roccatano, A. E. Mark, and S. Hayward, J. Mol. Biol. 0022-2836 310, 1039 (2001); I. H. Shrivastava, D. P. Tieleman, P. C. Biggin, and M. S. P. Sansom, Biophys. J. 0006-3495 83, 633 (2002); C. M. Soares, P. J. Martel, J. Mendes, and M. A. Carrondo, Biophys. J. 0006-3495 74, 1708 (1998); C. M. Soares, V. H. Teixeira, and A. M. Baptista, Biophys. J. 0006-3495 84, 1628 (2003); E. Mombelli, R. Morris, W. Taylor, and F. Fratenali, Biophys. J. 0006-3495 84, 1507 (2003); C. M. Shepherd, H. J. Vogel, and D. P. Tieleman, Biochem. J. 0264-6021 370, 233 (2003); J. Higo, H. Kono, N. Nakajima, H. Shirai, H. Nakamura, and A. Sarai, Chem. Phys. Lett. 0009-2614 306, 395 (1999); J. Higo, H. Kono, H. Nakamura, and A. Sarai, Proteins 40, 193 (2000).
-
(2001)
J. Mol. Biol.
, vol.310
, pp. 1039
-
-
Roccatano, D.1
Mark, A.E.2
Hayward, S.3
-
37
-
-
0035996966
-
-
0006-3495
-
D. Roccatano, A. E. Mark, and S. Hayward, J. Mol. Biol. 0022-2836 310, 1039 (2001); I. H. Shrivastava, D. P. Tieleman, P. C. Biggin, and M. S. P. Sansom, Biophys. J. 0006-3495 83, 633 (2002); C. M. Soares, P. J. Martel, J. Mendes, and M. A. Carrondo, Biophys. J. 0006-3495 74, 1708 (1998); C. M. Soares, V. H. Teixeira, and A. M. Baptista, Biophys. J. 0006-3495 84, 1628 (2003); E. Mombelli, R. Morris, W. Taylor, and F. Fratenali, Biophys. J. 0006-3495 84, 1507 (2003); C. M. Shepherd, H. J. Vogel, and D. P. Tieleman, Biochem. J. 0264-6021 370, 233 (2003); J. Higo, H. Kono, N. Nakajima, H. Shirai, H. Nakamura, and A. Sarai, Chem. Phys. Lett. 0009-2614 306, 395 (1999); J. Higo, H. Kono, H. Nakamura, and A. Sarai, Proteins 40, 193 (2000).
-
(2002)
Biophys. J.
, vol.83
, pp. 633
-
-
Shrivastava, I.H.1
Tieleman, D.P.2
Biggin, P.C.3
Sansom, M.S.P.4
-
38
-
-
0031892940
-
-
0006-3495
-
D. Roccatano, A. E. Mark, and S. Hayward, J. Mol. Biol. 0022-2836 310, 1039 (2001); I. H. Shrivastava, D. P. Tieleman, P. C. Biggin, and M. S. P. Sansom, Biophys. J. 0006-3495 83, 633 (2002); C. M. Soares, P. J. Martel, J. Mendes, and M. A. Carrondo, Biophys. J. 0006-3495 74, 1708 (1998); C. M. Soares, V. H. Teixeira, and A. M. Baptista, Biophys. J. 0006-3495 84, 1628 (2003); E. Mombelli, R. Morris, W. Taylor, and F. Fratenali, Biophys. J. 0006-3495 84, 1507 (2003); C. M. Shepherd, H. J. Vogel, and D. P. Tieleman, Biochem. J. 0264-6021 370, 233 (2003); J. Higo, H. Kono, N. Nakajima, H. Shirai, H. Nakamura, and A. Sarai, Chem. Phys. Lett. 0009-2614 306, 395 (1999); J. Higo, H. Kono, H. Nakamura, and A. Sarai, Proteins 40, 193 (2000).
-
(1998)
Biophys. J.
, vol.74
, pp. 1708
-
-
Soares, C.M.1
Martel, P.J.2
Mendes, J.3
Carrondo, M.A.4
-
39
-
-
0037342275
-
-
0006-3495
-
D. Roccatano, A. E. Mark, and S. Hayward, J. Mol. Biol. 0022-2836 310, 1039 (2001); I. H. Shrivastava, D. P. Tieleman, P. C. Biggin, and M. S. P. Sansom, Biophys. J. 0006-3495 83, 633 (2002); C. M. Soares, P. J. Martel, J. Mendes, and M. A. Carrondo, Biophys. J. 0006-3495 74, 1708 (1998); C. M. Soares, V. H. Teixeira, and A. M. Baptista, Biophys. J. 0006-3495 84, 1628 (2003); E. Mombelli, R. Morris, W. Taylor, and F. Fratenali, Biophys. J. 0006-3495 84, 1507 (2003); C. M. Shepherd, H. J. Vogel, and D. P. Tieleman, Biochem. J. 0264-6021 370, 233 (2003); J. Higo, H. Kono, N. Nakajima, H. Shirai, H. Nakamura, and A. Sarai, Chem. Phys. Lett. 0009-2614 306, 395 (1999); J. Higo, H. Kono, H. Nakamura, and A. Sarai, Proteins 40, 193 (2000).
-
(2003)
Biophys. J.
, vol.84
, pp. 1628
-
-
Soares, C.M.1
Teixeira, V.H.2
Baptista, A.M.3
-
40
-
-
0037343133
-
-
0006-3495
-
D. Roccatano, A. E. Mark, and S. Hayward, J. Mol. Biol. 0022-2836 310, 1039 (2001); I. H. Shrivastava, D. P. Tieleman, P. C. Biggin, and M. S. P. Sansom, Biophys. J. 0006-3495 83, 633 (2002); C. M. Soares, P. J. Martel, J. Mendes, and M. A. Carrondo, Biophys. J. 0006-3495 74, 1708 (1998); C. M. Soares, V. H. Teixeira, and A. M. Baptista, Biophys. J. 0006-3495 84, 1628 (2003); E. Mombelli, R. Morris, W. Taylor, and F. Fratenali, Biophys. J. 0006-3495 84, 1507 (2003); C. M. Shepherd, H. J. Vogel, and D. P. Tieleman, Biochem. J. 0264-6021 370, 233 (2003); J. Higo, H. Kono, N. Nakajima, H. Shirai, H. Nakamura, and A. Sarai, Chem. Phys. Lett. 0009-2614 306, 395 (1999); J. Higo, H. Kono, H. Nakamura, and A. Sarai, Proteins 40, 193 (2000).
-
(2003)
Biophys. J.
, vol.84
, pp. 1507
-
-
Mombelli, E.1
Morris, R.2
Taylor, W.3
Fratenali, F.4
-
41
-
-
0037443086
-
-
0264-6021
-
D. Roccatano, A. E. Mark, and S. Hayward, J. Mol. Biol. 0022-2836 310, 1039 (2001); I. H. Shrivastava, D. P. Tieleman, P. C. Biggin, and M. S. P. Sansom, Biophys. J. 0006-3495 83, 633 (2002); C. M. Soares, P. J. Martel, J. Mendes, and M. A. Carrondo, Biophys. J. 0006-3495 74, 1708 (1998); C. M. Soares, V. H. Teixeira, and A. M. Baptista, Biophys. J. 0006-3495 84, 1628 (2003); E. Mombelli, R. Morris, W. Taylor, and F. Fratenali, Biophys. J. 0006-3495 84, 1507 (2003); C. M. Shepherd, H. J. Vogel, and D. P. Tieleman, Biochem. J. 0264-6021 370, 233 (2003); J. Higo, H. Kono, N. Nakajima, H. Shirai, H. Nakamura, and A. Sarai, Chem. Phys. Lett. 0009-2614 306, 395 (1999); J. Higo, H. Kono, H. Nakamura, and A. Sarai, Proteins 40, 193 (2000).
-
(2003)
Biochem. J.
, vol.370
, pp. 233
-
-
Shepherd, C.M.1
Vogel, H.J.2
Tieleman, D.P.3
-
42
-
-
0000253134
-
-
0009-2614
-
D. Roccatano, A. E. Mark, and S. Hayward, J. Mol. Biol. 0022-2836 310, 1039 (2001); I. H. Shrivastava, D. P. Tieleman, P. C. Biggin, and M. S. P. Sansom, Biophys. J. 0006-3495 83, 633 (2002); C. M. Soares, P. J. Martel, J. Mendes, and M. A. Carrondo, Biophys. J. 0006-3495 74, 1708 (1998); C. M. Soares, V. H. Teixeira, and A. M. Baptista, Biophys. J. 0006-3495 84, 1628 (2003); E. Mombelli, R. Morris, W. Taylor, and F. Fratenali, Biophys. J. 0006-3495 84, 1507 (2003); C. M. Shepherd, H. J. Vogel, and D. P. Tieleman, Biochem. J. 0264-6021 370, 233 (2003); J. Higo, H. Kono, N. Nakajima, H. Shirai, H. Nakamura, and A. Sarai, Chem. Phys. Lett. 0009-2614 306, 395 (1999); J. Higo, H. Kono, H. Nakamura, and A. Sarai, Proteins 40, 193 (2000).
-
(1999)
Chem. Phys. Lett.
, vol.306
, pp. 395
-
-
Higo, J.1
Kono, H.2
Nakajima, N.3
Shirai, H.4
Nakamura, H.5
Sarai, A.6
-
43
-
-
0034257122
-
-
D. Roccatano, A. E. Mark, and S. Hayward, J. Mol. Biol. 0022-2836 310, 1039 (2001); I. H. Shrivastava, D. P. Tieleman, P. C. Biggin, and M. S. P. Sansom, Biophys. J. 0006-3495 83, 633 (2002); C. M. Soares, P. J. Martel, J. Mendes, and M. A. Carrondo, Biophys. J. 0006-3495 74, 1708 (1998); C. M. Soares, V. H. Teixeira, and A. M. Baptista, Biophys. J. 0006-3495 84, 1628 (2003); E. Mombelli, R. Morris, W. Taylor, and F. Fratenali, Biophys. J. 0006-3495 84, 1507 (2003); C. M. Shepherd, H. J. Vogel, and D. P. Tieleman, Biochem. J. 0264-6021 370, 233 (2003); J. Higo, H. Kono, N. Nakajima, H. Shirai, H. Nakamura, and A. Sarai, Chem. Phys. Lett. 0009-2614 306, 395 (1999); J. Higo, H. Kono, H. Nakamura, and A. Sarai, Proteins 40, 193 (2000).
-
(2000)
Proteins
, vol.40
, pp. 193
-
-
Higo, J.1
Kono, H.2
Nakamura, H.3
Sarai, A.4
-
45
-
-
0000026966
-
-
0026-8976 10.1080/00268979650027054
-
G. J. Martyna, M. E. Tuckerman, D. J. Tobias, and M. L. Klein, Mol. Phys. 0026-8976 10.1080/00268979650027054 87, 1117 (1996); P. Procacci, M. Marchi, and G. J. Martyna, J. Chem. Phys. 108, 8799 (1998).
-
(1996)
Mol. Phys.
, vol.87
, pp. 1117
-
-
Martyna, G.J.1
Tuckerman, M.E.2
Tobias, D.J.3
Klein, M.L.4
-
46
-
-
0001545051
-
-
G. J. Martyna, M. E. Tuckerman, D. J. Tobias, and M. L. Klein, Mol. Phys. 0026-8976 10.1080/00268979650027054 87, 1117 (1996); P. Procacci, M. Marchi, and G. J. Martyna, J. Chem. Phys. 108, 8799 (1998).
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 8799
-
-
Procacci, P.1
Marchi, M.2
Martyna, G.J.3
-
47
-
-
0028158280
-
-
0887-3585
-
G. E. Arnold and R. L. Ornstein, Proteins 0887-3585 18, 19 (1994); Y. Komeiji, M. Uebayasi, J. Someya, and I. Yamato, Protein Eng. 4, 871 (1991).
-
(1994)
Proteins
, vol.18
, pp. 19
-
-
Arnold, G.E.1
Ornstein, R.L.2
-
48
-
-
0026321288
-
-
G. E. Arnold and R. L. Ornstein, Proteins 0887-3585 18, 19 (1994); Y. Komeiji, M. Uebayasi, J. Someya, and I. Yamato, Protein Eng. 4, 871 (1991).
-
(1991)
Protein Eng.
, vol.4
, pp. 871
-
-
Komeiji, Y.1
Uebayasi, M.2
Someya, J.3
Yamato, I.4
-
51
-
-
33750587438
-
-
H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, and A. DiNola, J. Chem. Phys. 81, 3684 (1984).
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3684
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
Dinola, A.4
-
53
-
-
0004016501
-
-
W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 79, 926 (1983).
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
56
-
-
2942622288
-
-
H. W. Horn, W. C. Swope, J. W. Pitera, J. D. Madura, T. J. Dick, G. L. Hura, and T. Head-Gordon, J. Chem. Phys. 120, 9665 (2004).
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 9665
-
-
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
-
58
-
-
33744819420
-
-
edited by W. F.Gunsteren, P. K.Weiner, and A. J.Wilkinson (ESCOM, Leiden, Netherlands
-
P. E. Smith and W. F. van Gunsteren, in Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications, edited by, W. F. Gunsteren, P. K. Weiner, and, A. J. Wilkinson, (ESCOM, Leiden, Netherlands, 1993), Vol. 2, pp. 181.
-
(1993)
Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications
, vol.2
, pp. 181
-
-
Smith, P.E.1
Van Gunsteren, W.F.2
-
60
-
-
33744831444
-
-
University of California, San Francisco
-
D. A. Case, D. A. Pearlman, J. W. Caldwell, AMBER7, University of California, San Francisco, 2002.
-
(2002)
-
-
Case, D.A.1
Pearlman, D.A.2
Caldwell, J.W.3
-
61
-
-
0035789518
-
-
0948-5023
-
E. Lindahl, B. Hess, and D. van der Spoel, J. Mol. Model. 0948-5023 7, 306 (2001); H. J. C. Berendsen, D. van der Spoel, and R. van Drunen, Comput. Phys. Commun. 91, 43 (1995).
-
(2001)
J. Mol. Model.
, vol.7
, pp. 306
-
-
Lindahl, E.1
Hess, B.2
Van Der Spoel, D.3
-
62
-
-
0029633168
-
-
E. Lindahl, B. Hess, and D. van der Spoel, J. Mol. Model. 0948-5023 7, 306 (2001); H. J. C. Berendsen, D. van der Spoel, and R. van Drunen, Comput. Phys. Commun. 91, 43 (1995).
-
(1995)
Comput. Phys. Commun.
, vol.91
, pp. 43
-
-
Berendsen, H.J.C.1
Van Der Spoel, D.2
Van Drunen, R.3
-
64
-
-
36449003662
-
-
0021-9606 10.1063/1.464527
-
Y. Guissani and B. Guillot, J. Chem. Phys. 0021-9606 10.1063/1.464527 98, 8221 (1993); J. R. Errington and A. Z. Panagiotopoulos, J. Phys. Chem. B 102, 7470 (1998).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 8221
-
-
Guissani, Y.1
Guillot, B.2
-
66
-
-
33744822964
-
-
E-JCPSA6-124-512618 for the input files used in the simulation with the cutoff length of 18 Å and 2201 TIP3P water molecules. This document can be reached via a direct link in the online article's HTML reference section or via the EPAPS homepage
-
See EPAPS Document No. E-JCPSA6-124-512618 for the input files used in the simulation with the cutoff length of 18 Å and 2201 TIP3P water molecules. This document can be reached via a direct link in the online article's HTML reference section or via the EPAPS homepage (http://www.aip.org/ pubservs/epaps. html).
-
-
-
-
71
-
-
0001196127
-
-
0301-0104 10.1016/0301-0104(89)80166-1
-
K. Watanabe and M. L. Klein, Chem. Phys. 0301-0104 10.1016/0301-0104(89) 80166-1 131, 157 (1989); P. Höchtl, S. Boresch, W. Bitomsky, and O. Steinhauser, J. Chem. Phys. 109, 4927 (1998).
-
(1989)
Chem. Phys.
, vol.131
, pp. 157
-
-
Watanabe, K.1
Klein, M.L.2
-
72
-
-
0032558365
-
-
K. Watanabe and M. L. Klein, Chem. Phys. 0301-0104 10.1016/0301-0104(89) 80166-1 131, 157 (1989); P. Höchtl, S. Boresch, W. Bitomsky, and O. Steinhauser, J. Chem. Phys. 109, 4927 (1998).
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 4927
-
-
Höchtl, P.1
Boresch, S.2
Bitomsky, W.3
Steinhauser, O.4
|