-
1
-
-
0023346161
-
-
Bash, P.A.; Singh, U.C.; Langridge, R.; Kollman, P.A. Science 1987, 236, 564-568.
-
(1987)
Science
, vol.236
, pp. 564-568
-
-
Bash, P.A.1
Singh, U.C.2
Langridge, R.3
Kollman, P.A.4
-
5
-
-
0032232405
-
-
Marelius, J.; Kolmodin, K.; Feierberg, I.; Åqvist, J. J. Mol. Graphics Mod. 1998, 16, 213-225.
-
(1998)
J. Mol. Graphics Mod.
, vol.16
, pp. 213-225
-
-
Marelius, J.1
Kolmodin, K.2
Feierberg, I.3
Åqvist, J.4
-
6
-
-
0000381173
-
-
Guo, Z.; Brooks, C.L., III; Kong, X. J. Phys. Chem. B 1998, 102, 2032-2036.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 2032-2036
-
-
Guo, Z.1
Brooks C.L. III2
Kong, X.3
-
7
-
-
0001272783
-
-
Schäfer, H.; van Gunsteren, W.F.; Mark, A.E. J. Comput. Chem. 1999, 20, 1604-1617.
-
(1999)
J. Comput. Chem.
, vol.20
, pp. 1604-1617
-
-
Schäfer, H.1
Van Gunsteren, W.F.2
Mark, A.E.3
-
10
-
-
0027317812
-
-
Zacharias, M.; Straatsma, T.P.; McCammon, J.A.; Quiocho, F.A. Biochemistry 1993, 32, 7428-7434.
-
(1993)
Biochemistry
, vol.32
, pp. 7428-7434
-
-
Zacharias, M.1
Straatsma, T.P.2
McCammon, J.A.3
Quiocho, F.A.4
-
11
-
-
0029857806
-
-
Hu, H.; Shi, Y.Y.; Wang, C.X. Proteins 1996, 26, 157-166.
-
(1996)
Proteins
, vol.26
, pp. 157-166
-
-
Hu, H.1
Shi, Y.Y.2
Wang, C.X.3
-
12
-
-
0001061173
-
-
Liang, G.; Schmidt, R.K.; Yu, H.-A.; Cumming, D.A. J. Phys. Chem. 1996, 100, 2528-2534.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 2528-2534
-
-
Liang, G.1
Schmidt, R.K.2
Yu, H.-A.3
Cumming, D.A.4
-
15
-
-
0034226506
-
-
Banba, S.; Guo, Z.; Brooks, C.L., III J. Phys. Chem. B 2000, 104, 6903-6910.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 6903-6910
-
-
Banba, S.1
Guo, Z.2
Brooks C.L. III3
-
18
-
-
7044239742
-
-
Kollman, P. Chem. Rev. 1993, 93, 2395-2417.
-
(1993)
Chem. Rev.
, vol.93
, pp. 2395-2417
-
-
Kollman, P.1
-
19
-
-
0000224283
-
-
van Gunsteren, W.F., Schleyer, P.v.R., Eds.; John Wiley & Sons: Chichester
-
MacKerell, A.D., Jr.; Brooks, B.; Brooks, C.L., III; Nilsson, L.; Roux, B.; Won, Y.; Karplus, M. In Encyclopedia of Computational Chemistry, van Gunsteren, W.F., Schleyer, P.v.R., Eds.; John Wiley & Sons: Chichester, 1998; Vol. 1, pp 271-277.
-
(1998)
Encyclopedia of Computational Chemistry
, vol.1
, pp. 271-277
-
-
Mackerell A.D., Jr.1
Brooks, B.2
Brooks C.L. III3
Nilsson, L.4
Roux, B.5
Won, Y.6
Karplus, M.7
-
22
-
-
0000287183
-
-
Barrows, S.E.; Storer, J.W.; Cramer, C.J.; French, A.D.; Truhlar, D.G. J. Comput. Chem. 1998, 19, 1111-1129.
-
(1998)
J. Comput. Chem.
, vol.19
, pp. 1111-1129
-
-
Barrows, S.E.1
Storer, J.W.2
Cramer, C.J.3
French, A.D.4
Truhlar, D.G.5
-
23
-
-
0026016274
-
-
Ha, S.; Gao, J.; Tidor, B.; Brady, J.W.; Karplus, M. J. Am. Chem. Soc. 1991, 113, 1553-1557.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 1553-1557
-
-
Ha, S.1
Gao, J.2
Tidor, B.3
Brady, J.W.4
Karplus, M.5
-
24
-
-
0000892963
-
-
van Eijck, B.P.; Hooft, R.W.W.; Kroon, J. J. Phys. Chem. 1993, 97, 12093-12099.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 12093-12099
-
-
Van Eijck, B.P.1
Hooft, R.W.W.2
Kroon, J.3
-
25
-
-
0032540692
-
-
Simmerling, C.S.; Fox, T.; Kollman, P.A. J. Am. Chem. Soc. 1998, 120, 5771-5782.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 5771-5782
-
-
Simmerling, C.S.1
Fox, T.2
Kollman, P.A.3
-
26
-
-
0000503646
-
-
Schmidt, R.K.; Karplus, M.; Brady, J.W. J. Am. Chem. Soc. 1996, 118, 541-546.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 541-546
-
-
Schmidt, R.K.1
Karplus, M.2
Brady, J.W.3
-
28
-
-
84986512474
-
-
Brooks, B.R.; Bruccoleri, R.E.; Olafson, B.D.; States, D.J.; Swaminathan, S.; Karplus, M. J. Comput. Chem. 1983, 4, 187-217.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
29
-
-
0024288712
-
-
Ha, S.N.; Giammona, A.; Field, M.; Brady, J.W. Carbohydr. Res. 1988, 180, 207-221.
-
(1988)
Carbohydr. Res.
, vol.180
, pp. 207-221
-
-
Ha, S.N.1
Giammona, A.2
Field, M.3
Brady, J.W.4
-
30
-
-
0004016501
-
-
Jorgensen, W.L.; Chandrasekhar, J.; Madura, J.D.; Impey, R.W.; Klein, M.L.J. J. Chem. Phys. 1983, 79, 926-935.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.J.5
-
33
-
-
33750587438
-
-
Berendsen, H.J.C.; Postma, J.P.M.; van Gunsteren, W.F.; 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
Van Gunsteren, W.F.3
DiNola, A.4
Haak, J.R.5
-
35
-
-
0011389160
-
-
van Gunsteren, W.F., Weiner, P.K., Eds.; ESCOM: Leiden
-
Beveridge, D.L.; DiCapua, F.M. In Computer Simulations of Biomolecular Systems; van Gunsteren, W.F., Weiner, P.K., Eds.; ESCOM: Leiden, 1989; pp 1-26.
-
(1989)
Computer Simulations of Biomolecular Systems
, pp. 1-26
-
-
Beveridge, D.L.1
DiCapua, F.M.2
-
36
-
-
0003495725
-
-
van Gunsteren, W.F., Weiner, P.K., Eds.; ESCOM: Leiden
-
Brooks, C.L., III In Computer Simulations of Biomolecular Systems; van Gunsteren, W.F., Weiner, P.K., Eds.; ESCOM: Leiden, 1989; pp 73-88.
-
(1989)
Computer Simulations of Biomolecular Systems
, pp. 73-88
-
-
Brooks C.L. III1
-
38
-
-
0004324794
-
-
Espoo, Finland
-
Laaksonen, L., "gOpenMol", version 1.31, Center of Scientific Computations, Espoo, Finland. http://laaksonen.csc.fi/gopenmol/gopenmol.html.
-
"gOpenMol", version 1.31
-
-
Laaksonen, L.1
-
44
-
-
33751156627
-
-
Odelius, M.; Laaksonen, A.; Widmalm, G. J. Phys. Chem. 1995, 99, 12686-12692.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 12686-12692
-
-
Odelius, M.1
Laaksonen, A.2
Widmalm, G.3
-
45
-
-
0000768020
-
-
Chipot, C.; Kollman, P.A.; Pearlman, D.A. J. Comput. Chem. 1996, 17, 1112-1131.
-
(1996)
J. Comput. Chem.
, vol.17
, pp. 1112-1131
-
-
Chipot, C.1
Kollman, P.A.2
Pearlman, D.A.3
-
46
-
-
77956697129
-
-
Balbuena, P.B., Seminario, J.M., Eds.; Elsevier Science: Amsterdam, Theoretical and Computational Chemistry
-
Kusalik, P.G.; Laaksonen, A.; Svishchev, I.M. In Molecular dynamics: From classical to quantum methods; Balbuena, P.B., Seminario, J.M., Eds.; Elsevier Science: Amsterdam, 1999; Theoretical and Computational Chemistry, Vol. 7, pp 61-97.
-
(1999)
Molecular dynamics: From classical to quantum methods
, vol.7
, pp. 61-97
-
-
Kusalik, P.G.1
Laaksonen, A.2
Svishchev, I.M.3
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