-
5
-
-
0028214347
-
-
Jimenez, R.; Fleming, G.R.; Kumar, P.V.; Maroncelli, M. Nature 1994, 369, 471.
-
(1994)
Nature
, vol.369
, pp. 471
-
-
Jimenez, R.1
Fleming, G.R.2
Kumar, P.V.3
Maroncelli, M.4
-
7
-
-
0011445712
-
-
Ph.D. Thesis, Imperial College of Science, Technology and Medicine, London
-
Amer, H. QM/MM Studies of Myoglobin. Ph.D. Thesis, Imperial College of Science, Technology and Medicine, London, 2001.
-
(2001)
QM/MM Studies of Myoglobin
-
-
Amer, H.1
-
8
-
-
0011494254
-
-
manuscript in preparation
-
Amer, H.; Walker, R.C.; Mercer, I.P.; Klug, D.R.; Gould, I.R., manuscript in preparation.
-
-
-
Amer, H.1
Walker, R.C.2
Mercer, I.P.3
Klug, D.R.4
Gould, I.R.5
-
9
-
-
0004268506
-
-
University of California: San Francisco, CA
-
Case, D.A.; Pearlman, D.A.; Caldwell, J.W.; Cheatham, T.E., III; Ross, W.S.; Simmerling, C.L.; Darden, T.A.; Merz, K.M.; Stanton, R.V.; Cheng, A.L.; Vincent, J.J.; Crowley, M.; Tsui, V.; Radmer, R.J.; Duan, Y.; Pitera, J.; Massova, I.; Seibel, G.L.; Singh, U.C.; Weiner, P.K.; Kollman, P.A. AMBER 6; University of California: San Francisco, CA, 1999.
-
(1999)
AMBER 6
-
-
Case, D.A.1
Pearlman, D.A.2
Caldwell, J.W.3
Cheatham T.E. III4
Ross, W.S.5
Simmerling, C.L.6
Darden, T.A.7
Merz, K.M.8
Stanton, R.V.9
Cheng, A.L.10
Vincent, J.J.11
Crowley, M.12
Tsui, V.13
Radmer, R.J.14
Duan, Y.15
Pitera, J.16
Massova, I.17
Seibel, G.L.18
Singh, U.C.19
Weiner, P.K.20
Kollman, P.A.21
more..
-
10
-
-
0004039286
-
-
Academic Press: New York
-
Brändén, C.-I.; Jörnvall, H.; Eklund, H.; Furugren, B. The Enzymes, 3rd ed.; Academic Press: New York, 1975; Vol. 11.
-
(1975)
The Enzymes, 3rd ed.
, vol.11
-
-
Brändén, C.-I.1
Jörnvall, H.2
Eklund, H.3
Furugren, B.4
-
11
-
-
0030999986
-
-
Ramaswamy, S.; Scholze, M.; Plapp, B.V. Biochemistry 1997, 36, 3522.
-
(1997)
Biochemistry
, vol.36
, pp. 3522
-
-
Ramaswamy, S.1
Scholze, M.2
Plapp, B.V.3
-
12
-
-
0027434094
-
-
Shearer, G.; Kim, K.; Lee, K.; Wang, C.; Plapp, B. Biochemistry 1993, 32, 11186.
-
(1993)
Biochemistry
, vol.32
, pp. 11186
-
-
Shearer, G.1
Kim, K.2
Lee, K.3
Wang, C.4
Plapp, B.5
-
14
-
-
0028815118
-
-
Ryde, U. Proteins: Struct., Funct., Genet. 1995, 21, 40.
-
(1995)
Proteins: Struct., Funct., Genet.
, vol.21
, pp. 40
-
-
Ryde, U.1
-
17
-
-
0029011701
-
-
Cornell, W.D.; Cieplak, P.; Bayly, C.I.; Gould, I.R.; Merz, K.M.; 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.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
18
-
-
0001015978
-
-
Pavelites, J.J.; Gao, J.L.; Bash, P.A.; Mackerell, A.D. J. Comput. Chem. 1997, 18, 221.
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 221
-
-
Pavelites, J.J.1
Gao, J.L.2
Bash, P.A.3
Mackerell, A.D.4
-
20
-
-
2442617487
-
-
Binkley, J.S.; Pople, J.A.; Herhe, W.J. J. Am. Chem. Soc. 1980, 102, 939.
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 939
-
-
Binkley, J.S.1
Pople, J.A.2
Herhe, W.J.3
-
21
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M.J.; Tracks, 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.G.; Chen, W.; Wong, M.W.; Andres, J.L.; Head-Gordon, M.; Replogle, E.S.; Pople, J.A. Gaussian 98, revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, revision A.7
-
-
Frisch, M.J.1
Tracks, 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.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
22
-
-
0004016501
-
-
Jorgensen, W.L.; Chandreskhar, 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
Chandreskhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
23
-
-
3042524904
-
-
Bayly, C.I.; Cieplak, P.; Cornell, W.D.; Kollman, P.A. J. Phys. Chem. 1993, 97, 10269.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 10269
-
-
Bayly, C.I.1
Cieplak, P.2
Cornell, W.D.3
Kollman, P.A.4
-
24
-
-
33750587438
-
-
Berendsen, H.J.; Postma, J.P.M.; Van Gunsteren. W.F.; DiNola, A.; Haak, J.R. J. Chem. Phys. 1984, 81, 3684.
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3684
-
-
Berendsen, H.J.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
Dinola, A.4
Haak, J.R.5
-
25
-
-
33645961739
-
-
Essmann, U.; Perera, L.; Berkowitz, M.L.; Darden, T.; Lee, H.; Pedersen, L.G. J. Chem. Phys. 1995, 103, 8577.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 8577
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
Pedersen, L.G.6
-
26
-
-
0000703066
-
-
Foresman, J.B.; Head-Gordon, M.; Pople, J.A.; Frisch, M.J. J. Phys. Chem. 1992, 96, 135.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 135
-
-
Foresman, J.B.1
Head-Gordon, M.2
Pople, J.A.3
Frisch, M.J.4
-
27
-
-
36549104961
-
-
Chandler, D.; Bader, J.S.; Kuharski, R.A.; Sprik, M.; Klein, M.L.; Impey, R.W. J. Chem. Phys. 1988, 89, 3248.
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 3248
-
-
Chandler, D.1
Bader, J.S.2
Kuharski, R.A.3
Sprik, M.4
Klein, M.L.5
Impey, R.W.6
-
34
-
-
0030284727
-
-
Khidekel, V.; Chernyak, V.; Mukamel, S. J. Chem. Phys. 1996, 105, 8543.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 8543
-
-
Khidekel, V.1
Chernyak, V.2
Mukamel, S.3
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