-
7
-
-
0027219184
-
-
Bashford, D.; Case, D.; Dalvit, C.; Tennant, L.; Wright, P. Biochemistry 1993, 32, 8045-8056.
-
(1993)
Biochemistry
, vol.32
, pp. 8045-8056
-
-
Bashford, D.1
Case, D.2
Dalvit, C.3
Tennant, L.4
Wright, P.5
-
8
-
-
0028305457
-
-
Antosiewicz, J.; McCammon, J.; Gilson, M. J. Mol. Biol. 1994, 238, 415-436.
-
(1994)
J. Mol. Biol.
, vol.238
, pp. 415-436
-
-
Antosiewicz, J.1
McCammon, J.2
Gilson, M.3
-
12
-
-
0025689207
-
-
Northrup, S.; Wensel, T.; Meares, C.; Wendolowski, J.; Matthew, J. Proc. Natl. Acad. Sci. U.S.A. 1990, 87, 9503-9507.
-
(1990)
Proc. Natl. Acad. Sci. U.S.A.
, vol.87
, pp. 9503-9507
-
-
Northrup, S.1
Wensel, T.2
Meares, C.3
Wendolowski, J.4
Matthew, J.5
-
13
-
-
4043142817
-
-
Pack, G.; Garrett, G.; Wong, L.; Lamm, G. Protein Eng. 1993, 2, 177-183.
-
(1993)
Protein Eng.
, vol.2
, pp. 177-183
-
-
Pack, G.1
Garrett, G.2
Wong, L.3
Lamm, G.4
-
17
-
-
0025847876
-
-
Simonson, T.; Perahia, D.; Bricogne, G. J. Mol. Biol. 1991, 218, 859-886.
-
(1991)
J. Mol. Biol.
, vol.218
, pp. 859-886
-
-
Simonson, T.1
Perahia, D.2
Bricogne, G.3
-
19
-
-
0022856734
-
Free energy simulations
-
Beveridge, D., Jorgensen, W., Eds.; New York Academy of Sciences: New York
-
Mezei, M.; Beveridge, D. Free energy simulations. In Computer Simulation of Chemical and Biomolecular Systems; Beveridge, D., Jorgensen, W., Eds.; New York Academy of Sciences: New York, 1986; Vol. 482, pp 1-23.
-
(1986)
Computer Simulation of Chemical and Biomolecular Systems
, vol.482
, pp. 1-23
-
-
Mezei, M.1
Beveridge, D.2
-
20
-
-
0001031179
-
-
Brooks, C., III; Karplus, M.; Pettitt, M. Adv. Chem. Phys. 1987, 71, 1-259.
-
(1987)
Adv. Chem. Phys.
, vol.71
, pp. 1-259
-
-
Brooks III, C.1
Karplus, M.2
Pettitt, M.3
-
23
-
-
0029110156
-
-
York, D.; Yang, W.; Lee, H.; Darden, T.; Pedersen, L. J. Am. Chem. Soc. 1995, 117, 5001-5002.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 5001-5002
-
-
York, D.1
Yang, W.2
Lee, H.3
Darden, T.4
Pedersen, L.5
-
27
-
-
0022068152
-
-
Brooks, C., III; Brünger, A. T.; Karplus, M. Biopolymers 1985, 24, 843-865.
-
(1985)
Biopolymers
, vol.24
, pp. 843-865
-
-
Brooks III, C.1
Brünger, A.T.2
Karplus, M.3
-
29
-
-
0000012952
-
-
Stote, R.; States, D.; Karplus, M. J. Chim. Phys. 1991, 88, 2419-2433.
-
(1991)
J. Chim. Phys.
, vol.88
, pp. 2419-2433
-
-
Stote, R.1
States, D.2
Karplus, M.3
-
30
-
-
0027742843
-
-
Fischer, S.; Michnick, S.; Karplus, M. Biochemistry 1991, 32, 13830-13837.
-
(1991)
Biochemistry
, vol.32
, pp. 13830-13837
-
-
Fischer, S.1
Michnick, S.2
Karplus, M.3
-
32
-
-
0023060081
-
-
Warshel, A.; Sussman, F.; King, G. Biochemistry 1986, 25, 8368.
-
(1986)
Biochemistry
, vol.25
, pp. 8368
-
-
Warshel, A.1
Sussman, F.2
King, G.3
-
34
-
-
0001585447
-
-
Gilson, M.; Davis, M.; Luty, B.; McCammon, J. J. Phys. Chem. 1993, 97, 3591-3600.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 3591-3600
-
-
Gilson, M.1
Davis, M.2
Luty, B.3
McCammon, J.4
-
49
-
-
4043174091
-
-
Ph.D. Thesis, University of Strasbourg, France
-
Eiler, S. Ph.D. Thesis, University of Strasbourg, France, 1997.
-
(1997)
-
-
Eiler, S.1
-
50
-
-
0028104763
-
-
Poterszman, A.; Delarue, M.; Thierry, J.; Moras, D. J. Mol. Biol. 1994, 244, 158-167.
-
(1994)
J. Mol. Biol.
, vol.244
, pp. 158-167
-
-
Poterszman, A.1
Delarue, M.2
Thierry, J.3
Moras, D.4
-
53
-
-
84988087911
-
-
Gilson, M.; Sharp, K.; Honig, B. J. Comput. Chem. 1988, 9, 327-335.
-
(1988)
J. Comput. Chem.
, vol.9
, pp. 327-335
-
-
Gilson, M.1
Sharp, K.2
Honig, B.3
-
56
-
-
0026124585
-
-
Davis, M.; Madura, J.; Luty, B.; McCammon, J. A. Comput. Phys. Commun. 1991, 62, 187.
-
(1991)
Comput. Phys. Commun.
, vol.62
, pp. 187
-
-
Davis, M.1
Madura, J.2
Luty, B.3
McCammon, J.A.4
-
58
-
-
0004016501
-
-
Jorgensen, W.; Chandrasekar, J.; Madura, J.; Impey, R.; Klein, M. J. Chem. Phys. 1983, 79, 926-935.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926-935
-
-
Jorgensen, W.1
Chandrasekar, J.2
Madura, J.3
Impey, R.4
Klein, M.5
-
59
-
-
0000036869
-
-
Neria, E.; Fischer, S.; Karplus, M. J. Chem. Phys. 1996, 105, 1902-1921.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 1902-1921
-
-
Neria, E.1
Fischer, S.2
Karplus, M.3
-
60
-
-
84986512474
-
CHARMM: A program for macromolecular energy, minimization, and molecular dynamics calculations
-
Brooks, B.; Bruccoleri, R.; Olafson, B.; States, D.; Swaminathan, S.; Karplus, M. CHARMM: A program for macromolecular energy, minimization, and molecular dynamics calculations. J. Comput. Chem. 1983, 4, 187-217.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 187-217
-
-
Brooks, B.1
Bruccoleri, R.2
Olafson, B.3
States, D.4
Swaminathan, S.5
Karplus, M.6
-
61
-
-
33646940952
-
-
Ryckaert, J.; Ciccotti, G.; Berendsen, H. J. Comput. Phys. 1977, 23, 327-341.
-
(1977)
J. Comput. Phys.
, vol.23
, pp. 327-341
-
-
Ryckaert, J.1
Ciccotti, G.2
Berendsen, H.3
-
64
-
-
4043100368
-
-
Unpublished work
-
Tidor, B. Unpublished work.
-
-
-
Tidor, B.1
-
65
-
-
0024365336
-
-
Gao, J.; Kuczera, K.; Tidor, B.; Karplus, M. Science 1989, 244, 1069-1072.
-
(1989)
Science
, vol.244
, pp. 1069-1072
-
-
Gao, J.1
Kuczera, K.2
Tidor, B.3
Karplus, M.4
-
69
-
-
0000249851
-
-
Beutler, T.; Mark, A.; Schaik, R. v.; Gerber, P.; Gunsteren, W. v. Chem. Phys. Lett. 1994, 222, 529-539.
-
(1994)
Chem. Phys. Lett.
, vol.222
, pp. 529-539
-
-
Beutler, T.1
Mark, A.2
Schaik, R.V.3
Gerber, P.4
Gunsteren, W.V.5
-
74
-
-
0000152754
-
A guide to Monte Carlo for statistical mechanics
-
Berne, B., Ed.; Plenum Press: New York
-
Valleau, J.; Torrie, G. A guide to Monte Carlo for statistical mechanics. In Modern Theoretical Chemistry; Berne, B., Ed.; Plenum Press: New York, 1977; Vol. 5.
-
(1977)
Modern Theoretical Chemistry
, vol.5
-
-
Valleau, J.1
Torrie, G.2
-
78
-
-
0010682625
-
-
Tobias, D. J.; Brooks, C. L., III; Fleischman, S. H. Chem. Phys. Lett. 1989, 156, 256-260.
-
(1989)
Chem. Phys. Lett.
, vol.156
, pp. 256-260
-
-
Tobias, D.J.1
Brooks III, C.L.2
Fleischman, S.H.3
-
80
-
-
84986468475
-
-
Hermans, J.; Yun, R. H.; Anderson, A. G. J. Comput. Chem. 1992, 13, 429-442.
-
(1992)
J. Comput. Chem.
, vol.13
, pp. 429-442
-
-
Hermans, J.1
Yun, R.H.2
Anderson, A.G.3
-
82
-
-
0000441039
-
-
Hodel, A.; Simonson, T.; Fox, R. O.; Brünger, A. T. J. Phys. Chem. 1993, 97, 3409-3417.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 3409-3417
-
-
Hodel, A.1
Simonson, T.2
Fox, R.O.3
Brünger, A.T.4
-
83
-
-
0025130067
-
-
Kuczera, K.; Gao, J.; Tidor, B.; Karplus, M. Proc. Natl. Acad. Sci. U.S.A. 1990, 87, 8481-8485.
-
(1990)
Proc. Natl. Acad. Sci. U.S.A.
, vol.87
, pp. 8481-8485
-
-
Kuczera, K.1
Gao, J.2
Tidor, B.3
Karplus, M.4
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