-
1
-
-
0001290941
-
-
Vásquez, M.; Némethy, G.; Scheraga, H. A. Chem Rev 1994, 94, 2183.
-
(1994)
Chem Rev
, vol.94
, pp. 2183
-
-
Vásquez, M.1
Némethy, G.2
Scheraga, H.A.3
-
3
-
-
0033178329
-
-
Gordon, D. B.; Marshall, S. A.: Mayo, S. L. Curr Opin Struct Biol 1999, 9, 509.
-
(1999)
Curr Opin Struct Biol
, vol.9
, pp. 509
-
-
Gordon, D.B.1
Marshall, S.A.2
Mayo, S.L.3
-
4
-
-
0034979318
-
-
Wang, W.; Donini, O.; Reye, C. M.: Kollman, P. A. Annu Rev Biophys Biomol Struct 2001, 30, 211.
-
(2001)
Annu Rev Biophys Biomol Struct
, vol.30
, pp. 211
-
-
Wang, W.1
Donini, O.2
Reye, C.M.3
Kollman, P.A.4
-
5
-
-
0021757436
-
-
Weiner, S. J.; Kollman, P. A., Case, D. A.; Singh, U. C.; Ghio, C.; Alagona, G.; Profeta, S. Jr.; Weiner, P. J Am Chem Soc 1984, 106, 765.
-
(1984)
J Am Chem Soc
, vol.106
, pp. 765
-
-
Weiner, S.J.1
Kollman, P.A.2
Case, D.A.3
Singh, U.C.4
Ghio, C.5
Alagona, G.6
Profeta S., Jr.7
Weiner, P.8
-
6
-
-
84988053694
-
-
Weiner, S. J.; Kollman, P. A.; Nguyen, D. T.; Case, D.A. J Comput Chem 1986, 7, 230.
-
(1986)
J Comput Chem
, vol.7
, pp. 230
-
-
Weiner, S.J.1
Kollman, P.A.2
Nguyen, D.T.3
Case, D.A.4
-
7
-
-
84986512474
-
-
Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, 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
Swaminathan, S.5
Karplus, M.6
-
8
-
-
5944250450
-
-
Momany, F. A.; McGuire, R. F.; Burgess, A. W.; Scheraga, H. A. J Phys Chem 1975, 79, 2361.
-
(1975)
J Phys Chem
, vol.79
, pp. 2361
-
-
Momany, F.A.1
McGuire, R.F.2
Burgess, A.W.3
Scheraga, H.A.4
-
9
-
-
0001731773
-
-
Némethy, G.; Gibson, K. D.; Palmer, K. A.; Yoon, C. N.; Paterlini, G.; Zagari, A.; Rumsey, S.; Scheraga, H. A. J Phys Chem 1992, 96, 6472.
-
(1992)
J Phys Chem
, vol.96
, pp. 6472
-
-
Némethy, G.1
Gibson, K.D.2
Palmer, K.A.3
Yoon, C.N.4
Paterlini, G.5
Zagari, A.6
Rumsey, S.7
Scheraga, H.A.8
-
17
-
-
0035956901
-
-
Levy, Y.; Jortner, J.; Becker, O. M. Proc Natl Acad Sci USA 2001, 98, 2188.
-
(2001)
Proc Natl Acad Sci USA
, vol.98
, pp. 2188
-
-
Levy, Y.1
Jortner, J.2
Becker, O.M.3
-
18
-
-
0037154268
-
-
Cheung, M. S.; García, A. E.; Onuchic, J. N. Proc Natl Acad Sci USA 2002, 99, 685.
-
(2002)
Proc Natl Acad Sci USA
, vol.99
, pp. 685
-
-
Cheung, M.S.1
García, A.E.2
Onuchic, J.N.3
-
19
-
-
0002775934
-
-
Pullman, B., Ed.: D. Reidel: Dordrecht
-
Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.: Hermans, J. In Intermolecular Forces; Pullman, B., Ed.: D. Reidel: Dordrecht 1981, p 331.
-
(1981)
Intermolecular Forces
, pp. 331
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
Hermans, J.4
-
20
-
-
0004016501
-
-
Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. J Chem Phys 1983, 79, 926.
-
(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
-
24
-
-
84962428734
-
-
Iwaoka, M.; Okada, M.; Tomoda, S. J Mol Struct (Theochem) 2002, 586, 111.
-
(2002)
J Mol Struct (Theochem)
, vol.586
, pp. 111
-
-
Iwaoka, M.1
Okada, M.2
Tomoda, S.3
-
25
-
-
1542356431
-
-
Foresman, J. B.; Keith, T. A.; Wiberg, K. B.; Snoonian, J.; Frisch, M. J. J Phys Chem 1996, 100, 16098.
-
(1996)
J Phys Chem
, vol.100
, pp. 16098
-
-
Foresman, J.B.1
Keith, T.A.2
Wiberg, K.B.3
Snoonian, J.4
Frisch, M.J.5
-
26
-
-
0029831193
-
-
Radkiewicz, J. L.; Zipse, H.; Clarke, S.; Houk, K. N. J Am Chem Soc 1996, 118, 9148.
-
(1996)
J Am Chem Soc
, vol.118
, pp. 9148
-
-
Radkiewicz, J.L.1
Zipse, H.2
Clarke, S.3
Houk, K.N.4
-
28
-
-
84962360726
-
-
Shukla, M. K.; Mishra, S. K.; Kumar, A.; Mishra, P. C. J Comput Chem 2000, 21, 826.
-
(2000)
J Comput Chem
, vol.21
, pp. 826
-
-
Shukla, M.K.1
Mishra, S.K.2
Kumar, A.3
Mishra, P.C.4
-
30
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Fisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.: Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A. Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98: Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98:
-
-
Fisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Gonzalez, C.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
-
31
-
-
5744249209
-
-
Metropolis, N.; Rosenbluth, A. W.; Rosenbulth, M. N.; Teller, A. H.; Teller, E. J Chem Phys 1953, 21, 1087.
-
(1953)
J Chem Phys
, vol.21
, pp. 1087
-
-
Metropolis, N.1
Rosenbluth, A.W.2
Rosenbulth, M.N.3
Teller, A.H.4
Teller, E.5
-
33
-
-
0028978764
-
-
Derewenda, Z. S.; Lee, L.; Derewanda, U. J Mol Biol 1995, 252, 248.
-
(1995)
J Mol Biol
, vol.252
, pp. 248
-
-
Derewenda, Z.S.1
Lee, L.2
Derewanda, U.3
-
35
-
-
0034679011
-
-
Vargas, R.; Garza, J.; Dixon, D. A.; Hay, B. P. J Am Chem Soc 2000, 122, 4750.
-
(2000)
J Am Chem Soc
, vol.122
, pp. 4750
-
-
Vargas, R.1
Garza, J.2
Dixon, D.A.3
Hay, B.P.4
-
40
-
-
0035896007
-
-
Brandl, M.; Weiss, M. S.; Jabs, A.; Sühnel, J.; Hilgenfeld, R. J Mol Biol 2001, 307, 357.
-
(2001)
J Mol Biol
, vol.307
, pp. 357
-
-
Brandl, M.1
Weiss, M.S.2
Jabs, A.3
Sühnel, J.4
Hilgenfeld, R.5
-
41
-
-
0035531831
-
-
Iwaoka, M.; Takemoto, S.; Okada, M; Tomoda, S. Chem Lett 2001, 132.
-
(2001)
Chem Lett
, pp. 132
-
-
Iwaoka, M.1
Takemoto, S.2
Okada, M.3
Tomoda, S.4
-
42
-
-
34547398630
-
-
Iwaoka, M.; Takemoto, S.; Okada, M; Tomoda, S. Bull Chem Soc Jpn 2002, 75, 1611.
-
(2002)
Bull Chem Soc Jpn
, vol.75
, pp. 1611
-
-
Iwaoka, M.1
Takemoto, S.2
Okada, M.3
Tomoda, S.4
-
43
-
-
0037019551
-
-
Iwaoka, M; Takemoto, S.; Tomoda, S. J Am Chem Soc 2002, 124, 10613.
-
(2002)
J Am Chem Soc
, vol.124
, pp. 10613
-
-
Iwaoka, M.1
Takemoto, S.2
Tomoda, S.3
-
45
-
-
0000088881
-
-
Yu, C.-H.; Schäfer, L.; Ramek, M. J Phys Chem A 1999, 103, 8337.
-
(1999)
J Phys Chem A
, vol.103
, pp. 8337
-
-
Yu, C.-H.1
Schäfer, L.2
Ramek, M.3
-
47
-
-
0029011701
-
-
Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I. R.; Merz, K. M. Jr.; Ferguson, D. M.; Spellmeyer, D. C.; Fox, T.; Caldwell, J. W.; Kollman, P. A. J Am Chem Soc 1995, 117, 5179.
-
(1995)
J Am Chem Soc
, vol.117
, pp. 5179
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz K.M., Jr.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
48
-
-
0032066750
-
-
Ramek, M.: Yu, C.-H.; Schäfer, L. Can J Chem 1998, 76, 566.
-
(1998)
Can J Chem
, vol.76
, pp. 566
-
-
Ramek, M.1
Yu, C.-H.2
Schäfer, L.3
-
52
-
-
0031697733
-
-
Qi, P. X., Sosnick, T. R.; Englander, S. W. Nat Struct Biol 1998, 5, 882.
-
(1998)
Nat Struct Biol
, vol.5
, pp. 882
-
-
Qi, P.X.1
Sosnick, T.R.2
Englander, S.W.3
-
53
-
-
0034121798
-
-
Akiyama, S.; Takahashi, S.; Ishimori, K.; Morishima, I. Nature Struct Biol 2000, 7, 514.
-
(2000)
Nature Struct Biol
, vol.7
, pp. 514
-
-
Akiyama, S.1
Takahashi, S.2
Ishimori, K.3
Morishima, I.4
-
54
-
-
0028947257
-
-
Bryngelson, J. D.; Onuchic, J. N.; Socci, N. D.; Wolynes, P. G. Proteins Struct Funct Genet 1995, 21, 167.
-
(1995)
Proteins Struct Funct Genet
, vol.21
, pp. 167
-
-
Bryngelson, J.D.1
Onuchic, J.N.2
Socci, N.D.3
Wolynes, P.G.4
-
57
-
-
0032539221
-
-
Hudgins, R. R.; Ratner, M. A.; Jarrold, M. F. J Am Chem Soc 1998, 120, 12974.
-
(1998)
J Am Chem Soc
, vol.120
, pp. 12974
-
-
Hudgins, R.R.1
Ratner, M.A.2
Jarrold, M.F.3
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