-
3
-
-
0027321958
-
-
Miyamoto, S.; Kollman, P. A. Proteins: Struct., Funct., Genet. 1993, 16, 226-245.
-
(1993)
Proteins: Struct., Funct., Genet.
, vol.16
, pp. 226-245
-
-
Miyamoto, S.1
Kollman, P.A.2
-
5
-
-
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
-
8
-
-
7044239742
-
-
Kollman, P. Chem. Rev. 1993, 93, 2395-2417.
-
(1993)
Chem. Rev.
, vol.93
, pp. 2395-2417
-
-
Kollman, P.1
-
9
-
-
85005693432
-
-
Warshel, A.; Tao, H.; Fothergill, M.; Chu, Z.-T. Isr. J. Chem. 1994, 34, 253-256.
-
(1994)
Isr. J. Chem.
, vol.34
, pp. 253-256
-
-
Warshel, A.1
Tao, H.2
Fothergill, M.3
Chu, Z.-T.4
-
10
-
-
0030960230
-
-
Marrone, T. J.; Briggs, J. M.; McCammon, J. A. Annu. Rev. Pharmacol. Toxicol. 1997, 37, 71-90.
-
(1997)
Annu. Rev. Pharmacol. Toxicol.
, vol.37
, pp. 71-90
-
-
Marrone, T.J.1
Briggs, J.M.2
McCammon, J.A.3
-
11
-
-
0036286654
-
-
Simonson, T.; Archontis, G.; Karplus, M. Acc. Chem. Res. 2002, 35, 430-437.
-
(2002)
Acc. Chem. Res.
, vol.35
, pp. 430-437
-
-
Simonson, T.1
Archontis, G.2
Karplus, M.3
-
12
-
-
1642357706
-
-
Jorgensen, W. L. Science 2004, 303, 1813-1818.
-
(2004)
Science
, vol.303
, pp. 1813-1818
-
-
Jorgensen, W.L.1
-
15
-
-
15944378734
-
-
Balbes, L. M.; Mascarella, S. W.; Boyd, D. B. Rev. Comput. Chem. 1994, 5, 337-379.
-
(1994)
Rev. Comput. Chem.
, vol.5
, pp. 337-379
-
-
Balbes, L.M.1
Mascarella, S.W.2
Boyd, D.B.3
-
16
-
-
0028155689
-
-
Aqvist, J.; Medina, C.; Samuelsson, E. J. Protein Eng. 1994, 7, 385-391.
-
(1994)
Protein Eng.
, vol.7
, pp. 385-391
-
-
Aqvist, J.1
Medina, C.2
Samuelsson, E.J.3
-
17
-
-
0033557303
-
-
Wang, W.; Wang, J.; Kollman, P. A. Proteins: Struct., Funct. Genet. 1999, 34, 395-402.
-
(1999)
Proteins: Struct., Funct. Genet.
, vol.34
, pp. 395-402
-
-
Wang, W.1
Wang, J.2
Kollman, P.A.3
-
18
-
-
0035950792
-
-
Zhou, R.; Friesner, R. A.; Ghosh, A.; Rizzo, R. C.; Jorgensen, W. L.; Levy, R. M. J. Phys. Chem. B 2001, 105, 10388-10397.
-
(2001)
J. Phys. Chem. B.
, vol.105
, pp. 10388-10397
-
-
Zhou, R.1
Friesner, R.A.2
Ghosh, A.3
Rizzo, R.C.4
Jorgensen, W.L.5
Levy, R.M.6
-
19
-
-
0032560959
-
-
Srinivasan, J.; Cheatham, T. E., III; Cieplak, P.; Kollman, P. A.; Case, D. A. J. Am. Chem. Soc. 1998, 120, 9401-9409.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 9401-9409
-
-
Srinivasan, J.1
Cheatham III, T.E.2
Cieplak, P.3
Kollman, P.A.4
Case, D.A.5
-
20
-
-
0037234043
-
-
Gouda, H.; Kuntz, I. D.; Case, D. A.; Kollman, P. A. Biopolymers 2003, 68, 16-34.
-
(2003)
Biopolymers
, vol.68
, pp. 16-34
-
-
Gouda, H.1
Kuntz, I.D.2
Case, D.A.3
Kollman, P.A.4
-
21
-
-
0043245780
-
-
Gohlke, H.; Kiel, C.; Case, D. A. J. Mol. Biol. 2003, 330, 891-913.
-
(2003)
J. Mol. Biol.
, vol.330
, pp. 891-913
-
-
Gohlke, H.1
Kiel, C.2
Case, D.A.3
-
23
-
-
16344395749
-
-
Chen, W.; Chang, C.-E.; Gilson, M. K. Biophys. J. 2004, 87, 3035-3049.
-
(2004)
Biophys. J.
, vol.87
, pp. 3035-3049
-
-
Chen, W.1
Chang, C.-E.2
Gilson, M.K.3
-
24
-
-
0000885331
-
-
Brooks, B. R.; Janezic, D.; Karplus, M. J. Comput. Chem. 1995, 16, 1522-1542.
-
(1995)
J. Comput. Chem.
, vol.16
, pp. 1522-1542
-
-
Brooks, B.R.1
Janezic, D.2
Karplus, M.3
-
28
-
-
0037473066
-
-
Chang, C.-E.; Potter, M. J.; Gilson, M. K. J. Phys. Chem. B 2003, 107, 1048-1055.
-
(2003)
J. Phys. Chem. B.
, vol.107
, pp. 1048-1055
-
-
Chang, C.-E.1
Potter, M.J.2
Gilson, M.K.3
-
29
-
-
36149010019
-
-
Eckart, C. Phys. Rev. 1935, 47, 552-558.
-
(1935)
Phys. Rev.
, vol.47
, pp. 552-558
-
-
Eckart, C.1
-
33
-
-
0011146589
-
-
Rojas, O. L.; Levy, R. M.; Szabo, A. J. Chem. Phys. 1986, 85, 1037-1043.
-
(1986)
J. Chem. Phys.
, vol.85
, pp. 1037-1043
-
-
Rojas, O.L.1
Levy, R.M.2
Szabo, A.3
-
34
-
-
0022114079
-
-
Ansari, A.; Berendsen, J.; Bowne, S. F.; Frauenfelder, H.; Iben, I. E. T.; Sauke, T. B.; Shyamsunder, E.; Young, R. D. Proc. Natl. Acad. Sci. U. S. A. 1985, 82, 5000-5004.
-
(1985)
Proc. Natl. Acad. Sci. U. S. A
, vol.82
, pp. 5000-5004
-
-
Ansari, A.1
Berendsen, J.2
Bowne, S.F.3
Frauenfelder, H.4
Iben, I.E.T.5
Sauke, T.B.6
Shyamsunder, E.7
Young, R.D.8
-
36
-
-
0032374086
-
-
Kitao, A.; Hayward, S.; Go, N. Proteins: Struct., Funct., Genet. 1998, 33, 496-517.
-
(1998)
Proteins: Struct., Funct., Genet.
, vol.33
, pp. 496-517
-
-
Kitao, A.1
Hayward, S.2
Go, N.3
-
37
-
-
18744379773
-
-
Darian, E.; Hnizdo, V.; Fedorowicz, A.; Singh, H.; Demchuk, E. J. Comput Chem. 2005, 26, 651-660.
-
(2005)
J. Comput. Chem.
, vol.26
, pp. 651-660
-
-
Darian, E.1
Hnizdo, V.2
Fedorowicz, A.3
Singh, H.4
Demchuk, E.5
-
39
-
-
0034323089
-
-
Schafer, H.; Mark, A. E.; van Gunsteren, W. F. J. Chem. Phys. 2000, 113, 7809-7817.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 7809-7817
-
-
Schafer, H.1
Mark, A.E.2
Van Gunsteren, W.F.3
-
41
-
-
11244302391
-
-
Hsu, S.-T. D.; Peter, C.; van Gunsteren, W. F.; Bonvin, A. M. J. J. Biophys. J. 2005, 88, 15-24.
-
(2005)
Biophys. J.
, vol.88
, pp. 15-24
-
-
Hsu, S.-T.D.1
Peter, C.2
Van Gunsteren, W.F.3
Bonvin, A.M.J.J.4
-
42
-
-
0037051634
-
-
Jusuf, S.; Loll, P. J.; Axelsen, P. H. J. Am. Chem. Soc. 2002, 124, 3490-3491.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 3490-3491
-
-
Jusuf, S.1
Loll, P.J.2
Axelsen, P.H.3
-
44
-
-
0036677555
-
-
Luo, H.; Sharp, K. PNAS 2002, 99, 10399-10404.
-
(2002)
PNAS
, vol.99
, pp. 10399-10404
-
-
Luo, H.1
Sharp, K.2
-
45
-
-
0347949637
-
-
Swanson, J. M. J.; Henchman, R. H.; McCammon, J. A. Biophys. J. 2004, 86, 67-74.
-
(2004)
Biophys. J.
, vol.86
, pp. 67-74
-
-
Swanson, J.M.J.1
Henchman, R.H.2
McCammon, J.A.3
-
46
-
-
77958471978
-
-
University of Illinois Press
-
Shannon, C. E.; Weaver, W. University of Illinois Press 1949.
-
(1949)
-
-
Shannon, C.E.1
Weaver, W.2
-
48
-
-
0031058541
-
-
Gilson, M. K.; Given, J. A.; Bush, B. L.; McCammon, J. A. Biophys. J. 1997, 72, 1047-1069.
-
(1997)
Biophys. J.
, vol.72
, pp. 1047-1069
-
-
Gilson, M.K.1
Given, J.A.2
Bush, B.L.3
McCammon, J.A.4
-
51
-
-
36849121788
-
-
Herschbach, D. R.; Johnston, H. S.; Rapp, D. J. Chem. Phys. 1959, 31, 1652-1661.
-
(1959)
J. Chem. Phys.
, vol.31
, pp. 1652-1661
-
-
Herschbach, D.R.1
Johnston, H.S.2
Rapp, D.3
-
56
-
-
0000961995
-
-
Levy, R. M.; Karplus, M.; Kushick, J.; Perahia, D. Macromolecules 1984, 17, 1370-1374.
-
(1984)
Macromolecules
, vol.17
, pp. 1370-1374
-
-
Levy, R.M.1
Karplus, M.2
Kushick, J.3
Perahia, D.4
-
57
-
-
0000980795
-
-
Levy, R. M.; Rojas, O. L.; Friesner, R. A. J. Phys. Chem. 1984, 88, 4233-4238.
-
(1984)
J. Phys. Chem.
, vol.88
, pp. 4233-4238
-
-
Levy, R.M.1
Rojas, O.L.2
Friesner, R.A.3
-
62
-
-
4043173375
-
-
Chen, W.; Huang, J.; Gilson, M. K. J. Chem. Inf. Comput. Sci. 2004, 44(4), 1301-1313.
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, Issue.4
, pp. 1301-1313
-
-
Chen, W.1
Huang, J.2
Gilson, M.K.3
-
64
-
-
77958482163
-
-
version 22; Molecular Simulations Inc.: Waltham, MA
-
CHARMm, version 22; Molecular Simulations Inc.: Waltham, MA, 1992.
-
(1992)
CHARMm
-
-
-
65
-
-
77958482546
-
-
Accelrys, Inc.: San Diego, CA
-
3QUANTA; Accelrys, Inc.: San Diego, CA.
-
3QUANTA
-
-
-
66
-
-
0344778061
-
-
Still, W. C.; Tempczyk, A.; Hawley, R. C.; Hendrickson, T. J. Am. Chem. Soc. 1990, 112, 6127-6129.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 6127-6129
-
-
Still, W.C.1
Tempczyk, A.2
Hawley, R.C.3
Hendrickson, T.4
-
67
-
-
0026124585
-
-
Davis, M. E.; Madura, J. D.; Luty, B. A.; McCammon, J. A. Comput. Phys. Commun. 1991, 62, 187-197.
-
(1991)
Comput. Phys. Commun.
, vol.62
, pp. 187-197
-
-
Davis, M.E.1
Madura, J.D.2
Luty, B.A.3
McCammon, J.A.4
-
68
-
-
0033043720
-
-
Luo, R.; Head, M. S.; Given, J. A.; Gilson, M. K. Biophys. Chem. 1999, 78, 183-193.
-
(1999)
Biophys. Chem.
, vol.78
, pp. 183-193
-
-
Luo, R.1
Head, M.S.2
Given, J.A.3
Gilson, M.K.4
-
70
-
-
33751385054
-
-
Honig, B.; Sharp, K.; Yang, A.-S. J. Phys. Chem. 1993, 97, 1101-1109.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 1101-1109
-
-
Honig, B.1
Sharp, K.2
Yang, A.-S.3
-
73
-
-
0001064378
-
-
Nola, A. D.; Berendsen, H. J. C.; Edholm, O. Macromolecules 1984, 17, 2044-2050.
-
(1984)
Macromolecules
, vol.17
, pp. 2044-2050
-
-
Nola, A.D.1
Berendsen, H.J.C.2
Edholm, O.3
|