-
6
-
-
0344778061
-
-
Still, W.C.; Tempczyk, A.; Hawley, R.C.; Hendrickson, T. J. Am. Chem. Soc. 1990, 112, 6127.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 6127
-
-
Still, W.C.1
Tempczyk, A.2
Hawley, R.C.3
Hendrickson, T.4
-
7
-
-
0031075977
-
-
Edinger, S.R.; Cortis, C.; Shenkin, P.S.; Friesner, R.A. J. Phys. Chem. B 1997, 101, 1190.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 1190
-
-
Edinger, S.R.1
Cortis, C.2
Shenkin, P.S.3
Friesner, R.A.4
-
8
-
-
4043171970
-
-
Qiu, D.; Shenkin, P.S.; Hollinger, F.P.; Still, W.C. J. Phys. Chem. A 1997, 101, 3005.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 3005
-
-
Qiu, D.1
Shenkin, P.S.2
Hollinger, F.P.3
Still, W.C.4
-
9
-
-
0000043930
-
-
Jayaram, B.; Sprous, D.; Beveridge, D.L. J. Phys. Chem. B 1998, 102, 9571.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 9571
-
-
Jayaram, B.1
Sprous, D.2
Beveridge, D.L.3
-
10
-
-
0033468737
-
-
Srinivasan, J.; Trevathan, M.W.; Beroza, P.; Case, D.A. Theor. Chem. Acc. 1999, 101, 426.
-
(1999)
Theor. Chem. Acc.
, vol.101
, pp. 426
-
-
Srinivasan, J.1
Trevathan, M.W.2
Beroza, P.3
Case, D.A.4
-
11
-
-
20644449471
-
-
Onufriev, A.; Bashford, D.; Case, D.A. J. Phys. Chem. B 2000, 104, 3712.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 3712
-
-
Onufriev, A.1
Bashford, D.2
Case, D.A.3
-
12
-
-
84889381275
-
-
and references therein
-
See, for example, Cramer, C.J.; Truhlar, D.G. Chem. Rev. 1999, 99, 2160 and references therein.
-
(1999)
Chem. Rev.
, vol.99
, pp. 2160
-
-
Cramer, C.J.1
Truhlar, D.G.2
-
14
-
-
84962367344
-
-
Lipkowitz, K.B., Boyd, D.B., Eds.; VCH: New York
-
Gao, J. In Reviews in Computational Chemistry; Lipkowitz, K.B., Boyd, D.B., Eds.; VCH: New York: 1995; Vol. 7., p 119.
-
(1995)
Reviews in Computational Chemistry
, vol.7
, pp. 119
-
-
Gao, J.1
-
15
-
-
0000519270
-
-
Schleyer, P.v.R., Allinger, N.L., Clark, T., Gasteiger, J., Kollman, P.A., Schaefer, H.F., III, Schreiner, P.R., Eds.; John Wiley and Sons: Chichester
-
Amara, P.; Field M.J. In The Encyclopedia of Computational Chemistry; Schleyer, P.v.R., Allinger, N.L., Clark, T., Gasteiger, J., Kollman, P.A., Schaefer, H.F., III, Schreiner, P.R., Eds.; John Wiley and Sons: Chichester: 1998; Vol. 1, p 431.
-
(1998)
The Encyclopedia of Computational Chemistry
, vol.1
, pp. 431
-
-
Amara, P.1
Field, M.J.2
-
16
-
-
84986513644
-
-
Field, M.J.; Bash, P.A.; Karplus, M. J. Comput. Chem. 1990, 11, 700.
-
(1990)
J. Comput. Chem.
, vol.11
, pp. 700
-
-
Field, M.J.1
Bash, P.A.2
Karplus, M.3
-
17
-
-
33748390341
-
-
Hawkins, G.D.; Cramer, C.J.; Truhlar, D.G. J. Phys. Chem. 1996, 100, 19824.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 19824
-
-
Hawkins, G.D.1
Cramer, C.J.2
Truhlar, D.G.3
-
19
-
-
0842341771
-
-
Dewar, M.J.S.; Zoebisch, E.G.; Healy, E.F.; Stewart, J.J.P.J. Am. Chem. Soc. 1985, 107, 3902.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 3902
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healy, E.F.3
Stewart, J.J.P.4
-
23
-
-
0000831054
-
-
Field, M.J.; Albe, M.; Bret, C.; Proust-De Martin, F.; Thomas, A. J. Comput. Chem. 2000, 21, 1088.
-
(2000)
J. Comput. Chem.
, vol.21
, pp. 1088
-
-
Field, M.J.1
Albe, M.2
Bret, C.3
Proust-De Martin, F.4
Thomas, A.5
-
24
-
-
0029912748
-
-
Jorgensen, W.L.; Maxwell, D.S.; Tirado-Rives, J. J. Am. Chem. Soc. 1996, 118, 11225.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 11225
-
-
Jorgensen, W.L.1
Maxwell, D.S.2
Tirado-Rives, J.3
-
26
-
-
0029248338
-
-
Storer, J.W.; Giesen, D.J.; Cramer, C.J.; Truhlar, D.G. J. Comput. Aid. Mol. Des. 1995, 9, 87.
-
(1995)
J. Comput. Aid. Mol. Des.
, vol.9
, pp. 87
-
-
Storer, J.W.1
Giesen, D.J.2
Cramer, C.J.3
Truhlar, D.G.4
-
28
-
-
0004254735
-
-
Schrödinger Inc.: Portland, OR
-
Jaguar 3.5; Schrödinger Inc.: Portland, OR, 1998.
-
(1998)
Jaguar 3.5
-
-
-
29
-
-
0011084421
-
-
Protein Data Bank, Brookhaven National Laboratory, Upton, NY, 11973
-
Protein Data Bank, Brookhaven National Laboratory, Upton, NY, 11973.
-
-
-
-
30
-
-
0011126294
-
-
Private communication
-
Dideberg, O. Private communication.
-
-
-
Dideberg, O.1
-
31
-
-
0004210283
-
-
Molecular Simulations Inc.: San Diego, CA
-
Insight II; Molecular Simulations Inc.: San Diego, CA, 1993.
-
(1993)
Insight II
-
-
-
32
-
-
84986512474
-
-
Brooks, B.R.; Bruccoleri, R.E.; Olafson, B.D.; States D.J.; Swaminanathan S.; Karplus M. J. Comput. Chem. 1983, 4, 187.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 187
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminanathan, S.5
Karplus, M.6
-
33
-
-
0026124585
-
-
Davis, M.E.; Madura, J.D.; Luty, B.A.; McCammon, J.A. Comput. Phys. Comm. 1991, 62, 187.
-
(1991)
Comput. Phys. Comm.
, vol.62
, pp. 187
-
-
Davis, M.E.1
Madura, J.D.2
Luty, B.A.3
McCammon, J.A.4
|