-
1
-
-
0004121625
-
-
4 th ed., Churchill Lovingstone, Edinburgh
-
H. P. Rang, M. M. Dale, J. M. Ritter, Pharmacology, 4 th ed., Churchill Lovingstone, Edinburgh, 1999, pp. 478-480.
-
(1999)
Pharmacology
, pp. 478-480
-
-
Rang, H.P.1
Dale, M.M.2
Ritter, J.M.3
-
3
-
-
36849013490
-
-
M. D. Clift, H. Ji, G. P. Deniau, D. O'Hagan, R. B. Silverman, Biochemistry 2007, 46, 13819-13828
-
(2007)
Biochemistry
, vol.46
, pp. 13819-13828
-
-
Clift, M.D.1
Ji, H.2
Deniau, G.P.3
O'Hagan, D.4
Silverman, R.B.5
-
4
-
-
38849138029
-
-
G. Deniau, A. M. Z. Slawin, J. P. Issberner, T. vanMourik, K. T. Sillar, J. J. Lambert, D. O'Hagan, ChemBioChem 2007, 8, 2265-2274
-
(2007)
ChemBioChem
, vol.8
, pp. 2265-2274
-
-
Deniau, G.1
Slawin, A.M.Z.2
Issberner, J.P.3
Vanmourik, T.4
Sillar, K.T.5
Lambert, J.J.6
O'Hagan, D.7
-
5
-
-
79959878607
-
-
I. Yamamoto, G. P. Deniau, N. Gavande, M. Chebib, G. A. R. Johnson, D. O'Hagan, Chem. Commun. 2011, 47, 7956-7958.
-
(2011)
Chem. Commun.
, vol.47
, pp. 7956-7958
-
-
Yamamoto, I.1
Deniau, G.P.2
Gavande, N.3
Chebib, M.4
Johnson, G.A.R.5
O'Hagan, D.6
-
6
-
-
84946893847
-
-
S. Miertuš, E. Scrocco, J. Tomasi, Chem. Phys. 1981, 55, 117-129.
-
(1981)
Chem. Phys.
, vol.55
, pp. 117-129
-
-
Miertuš, S.1
Scrocco, E.2
Tomasi, J.3
-
7
-
-
1642502264
-
-
D. L. Crittenden, M. Chebib, M. J. T. Jordan, J. Phys. Chem. A 2004, 108, 203-211.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 203-211
-
-
Crittenden, D.L.1
Chebib, M.2
Jordan, M.J.T.3
-
8
-
-
58149235202
-
-
E. G. Hohenstein, S. T. Chill, C. D. Sherrill, J. Chem. Theory Comput. 2008, 4, 1996-2000
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 1996-2000
-
-
Hohenstein, E.G.1
Chill, S.T.2
Sherrill, C.D.3
-
13
-
-
65349177740
-
-
R. K. Raju, A. Ramraj, I. H. Hillier, M. A. Vincent, N. A. Burton, Phys. Chem. Chem. Phys. 2009, 11, 3411-3416.
-
(2009)
Phys. Chem. Chem. Phys.
, vol.11
, pp. 3411-3416
-
-
Raju, R.K.1
Ramraj, A.2
Hillier, I.H.3
Vincent, M.A.4
Burton, N.A.5
-
14
-
-
77952819729
-
-
RevisionA.02 Gaussian, Inc., Wallingford CT
-
Gaussian09, RevisionA.02, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery,Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, A. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox, Gaussian, Inc., Wallingford CT, 2009.
-
(2009)
Gaussian09
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
Nakatsuji, H.11
Caricato, M.12
Li, X.13
Hratchian, H.P.14
Izmaylov, A.F.15
Bloino, J.16
Zheng, G.17
Sonnenberg, J.L.18
Hada, M.19
Ehara, M.20
Toyota, K.21
Fukuda, R.22
Hasegawa, J.23
Ishida, M.24
Nakajima, T.25
Honda, Y.26
Kitao, O.27
Nakai, H.28
Vreven, T.29
Montgomery Jr., J.A.30
Peralta, J.E.31
Ogliaro, F.32
Bearpark, M.33
Heyd, J.J.34
Brothers, E.35
Kudin, K.N.36
Staroverov, V.N.37
Kobayashi, R.38
Normand, J.39
Raghavachari, K.40
Rendell, A.41
Burant, J.C.42
Iyengar, S.S.43
Tomasi, J.44
Cossi, M.45
Rega, N.46
Millam, J.M.47
Klene, M.48
Knox, J.E.49
Cross, J.B.50
Bakken, V.51
Adamo, C.52
Jaramillo, J.53
Gomperts, R.54
Stratmann, R.E.55
Yazyev, O.56
Austin, A.J.57
Cammi, R.58
Pomelli, C.59
Ochterski, J.W.60
Martin, R.L.61
Morokuma, K.62
Zakrzewski, V.G.63
Voth, G.A.64
Salvador, P.65
Dannenberg, J.J.66
Dapprich, S.67
Daniels, A.D.68
Farkas, A.69
Foresman, J.B.70
Ortiz, J.V.71
Cioslowski, J.72
Fox, D.J.73
more..
-
17
-
-
67650500988
-
-
B. R. Brooks, C. L. Brooks, A. D. Mackerell, L. Nilsson, R. J. Petrella, B. Roux, Y. Won, G. Archontis, C. Bartels, S. Boresch, A. Caflisch, L. Caves, Q. Cui, A. R. Dinner, M. Feig, S. Fischer, J. Gao, M. Hodoscek, W. Im, K. Kuczera, T. Lazaridis, J. Ma, V. Ovchinnikov, E. Paci, R. W. Pastor, C. B. Post, J. Z. Pu, M. Schaefer, B. Tidor, R. M. Venable, H. L. Woodcock, X. Wu, W. Yang, D. M. York and M. Karplus, J. Comput. Chem. 2009, 30, 1545-1614.
-
(2009)
J. Comput. Chem.
, vol.30
, pp. 1545-1614
-
-
Brooks, B.R.1
Brooks, C.L.2
MacKerell, A.D.3
Nilsson, L.4
Petrella, R.J.5
Roux, B.6
Won, Y.7
Archontis, G.8
Bartels, C.9
Boresch, S.10
Caflisch, A.11
Caves, L.12
Cui, Q.13
Dinner, A.R.14
Feig, M.15
Fischer, S.16
Gao, J.17
Hodoscek, M.18
Im, W.19
Kuczera, K.20
Lazaridis, T.21
Ma, J.22
Ovchinnikov, V.23
Paci, E.24
Pastor, R.W.25
Post, C.B.26
Pu, J.Z.27
Schaefer, M.28
Tidor, B.29
Venable, R.M.30
Woodcock, H.L.31
Wu, X.32
Yang, W.33
Karplus, D.M.Y.A.M.34
more..
-
18
-
-
0004016501
-
-
W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, M. L. Klein, 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.5
-
19
-
-
0041784950
-
-
A. D. MacKerell, D. Bashford, Bellott, R. L. Dunbrack, J. D. Evanseck, M. J. Field, S. Fischer, J. Gao, H. Guo, S. Ha, D. Joseph-McCarthy, L. Kuchnir, K. Kuczera, F. T. K. Lau, C. Mattos, S. Michnick, T. Ngo, D. T. Nguyen, B. Prodhom, W. E. Reiher, B. Roux, M. Schlenkrich, J. C. Smith, R. Stote, J. Straub, M. Watanabe, J. Wiórkiewicz-Kuczera, D. Yin, M. Karplus, J. Phys. Chem. B 1998, 102, 3586-3616
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 3586-3616
-
-
MacKerell, A.D.1
Bashford, D.2
Bellott3
Dunbrack, R.L.4
Evanseck, J.D.5
Field, M.J.6
Fischer, S.7
Gao, J.8
Guo, H.9
Ha, S.10
Joseph-Mccarthy, D.11
Kuchnir, L.12
Kuczera, K.13
Lau, F.T.K.14
Mattos, C.15
Michnick, S.16
Ngo, T.17
Nguyen, D.T.18
Prodhom, B.19
Reiher, W.E.20
Roux, B.21
Schlenkrich, M.22
Smith, J.C.23
Stote, R.24
Straub, J.25
Watanabe, M.26
Wiórkiewicz- Kuczera, J.27
Yin, D.28
Karplus, M.29
more..
-
20
-
-
3142714765
-
-
A. D. Mackerell, M. Feig, C. L. Brooks, J. Comput. Chem. 2004, 25, 1400-1415.
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1400-1415
-
-
MacKerell, A.D.1
Feig, M.2
Brooks, C.L.3
-
22
-
-
0242391123
-
-
P. Sherwood, A. H. deVries, M. F. Guest, G. Schreckenbach, C. R. A. Catlow, S. A. French, A. A. Sokol, S. T. Bromley, W. Thiel, A. J. Turner, S. Billeter, F. Terstegen, S. Thiel, J. Kendrick, S. C. Rogers, J. Casci, M. Watson, F. King, E. Kerlson, M. Sjøvoll, A. Fahmi, A. Schäfer, C. Lennartz, J. Mol. Struct.: THEOCHEM 2003, 632, 1-28.
-
(2003)
J. Mol. Struct.: THEOCHEM
, vol.632
, pp. 1-28
-
-
Sherwood, P.1
Devries, A.H.2
Guest, M.F.3
Schreckenbach, G.4
Catlow, C.R.A.5
French, S.A.6
Sokol, A.A.7
Bromley, S.T.8
Thiel, W.9
Turner, A.J.10
Billeter, S.11
Terstegen, F.12
Thiel, S.13
Kendrick, J.14
Rogers, S.C.15
Casci, J.16
Watson, M.17
King, F.18
Kerlson, E.19
Sjøvoll, M.20
Fahmi, A.21
Schäfer, A.22
Lennartz, C.23
more..
-
23
-
-
4243539377
-
-
R. Ahlrichs, M. Bär, M. Häser, H. Horn, C. Kölmel, Chem. Phys. Lett. 1989, 162, 165-169.
-
(1989)
Chem. Phys. Lett.
, vol.162
, pp. 165-169
-
-
Ahlrichs, R.1
Bär, M.2
Häser, M.3
Horn, H.4
Kölmel, C.5
-
28
-
-
0040689719
-
-
T. Helgaker, M. Jaszunski, K. Ruud, A. Górska, Theor. Chem. Acc. 1998, 99, 175-182.
-
(1998)
Theor. Chem. Acc.
, vol.99
, pp. 175-182
-
-
Helgaker, T.1
Jaszunski, M.2
Ruud, K.3
Górska, A.4
-
33
-
-
0037180863
-
-
M. Å'trajbl, G. Hong, A. Warshel, J. Phys. Chem. B 2002, 106, 13333-13343.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 13333-13343
-
-
Å'trajbl, M.1
Hong, G.2
Warshel, A.3
-
34
-
-
38049039241
-
-
C. J. Woods, F. R. Manby, A. J. Mulholland, J. Chem. Phys. 2008, 128, 014109
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 014109
-
-
Woods, C.J.1
Manby, F.R.2
Mulholland, A.J.3
-
35
-
-
77955765435
-
-
M. Retegan, M. Martins-Costa, M. F. Ruiz-Lopez, J. Chem. Phys. 2010, 133, 064103
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 064103
-
-
Retegan, M.1
Martins-Costa, M.2
Ruiz-Lopez, M.F.3
-
36
-
-
79955509805
-
-
F. R. Beierlein, J. Michel, J. W. Essex, J. Phys. Chem. B 2011, 115, 4911-4926.
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 4911-4926
-
-
Beierlein, F.R.1
Michel, J.2
Essex, J.W.3
-
37
-
-
67649231737
-
-
A. Gutberlet, G. Schwaab, A. Birer, M. Masia, A. Kaczmarek, H. Forbert, M. Havenith, D. Marx, Science 2009, 324, 1545-1548
-
(2009)
Science
, vol.324
, pp. 1545-1548
-
-
Gutberlet, A.1
Schwaab, G.2
Birer, A.3
Masia, M.4
Kaczmarek, A.5
Forbert, H.6
Havenith, M.7
Marx, D.8
-
38
-
-
26444589209
-
-
C. Lee, C. Sosa, M. Planas, J. J. Novoa, J. Chem. Phys. 1996, 104, 7081-7085.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 7081-7085
-
-
Lee, C.1
Sosa, C.2
Planas, M.3
Novoa, J.J.4
-
40
-
-
37549015952
-
-
K. J. Jalkanen, I. M. Degtyarenko, R. M. Nieminen, X. Cao, L. A. Nafie, F. Zhu, L. D. Barron, Theor. Chem. Acc. 2008, 119, 191-210.
-
(2008)
Theor. Chem. Acc.
, vol.119
, pp. 191-210
-
-
Jalkanen, K.J.1
Degtyarenko, I.M.2
Nieminen, R.M.3
Cao, X.4
Nafie, L.A.5
Zhu, F.6
Barron, L.D.7
-
41
-
-
66449098496
-
-
S. C. L. Kamerlin, M. Haranczyk, A. Warshel, ChemPhysChem 2009, 10, 1125-1134.
-
(2009)
ChemPhysChem
, vol.10
, pp. 1125-1134
-
-
Kamerlin, S.C.L.1
Haranczyk, M.2
Warshel, A.3
-
45
-
-
60349127442
-
-
Angew. Chem. Int. Ed. 2009, 48, 1198-1229.
-
(2009)
Angew. Chem. Int. Ed.
, vol.48
, pp. 1198-1229
-
-
-
46
-
-
84555212000
-
-
S. Blanco, J. C. Lopez, S. Mata, J. L. Alonso, Angew. Chem. 2010, 122, 9373-9378
-
(2010)
Angew. Chem.
, vol.122
, pp. 9373-9378
-
-
Blanco, S.1
Lopez, J.C.2
Mata, S.3
Alonso, J.L.4
-
47
-
-
78649551862
-
-
Angew. Chem. Int. Ed. 2010, 49, 9187-9192.
-
(2010)
Angew. Chem. Int. Ed.
, vol.49
, pp. 9187-9192
-
-
-
49
-
-
34249930405
-
-
H. A. Scheraga, M. Khalili, A. Liwo, Ann. Rev. Phys. Chem. 2007, 58, 57-83.
-
(2007)
Ann. Rev. Phys. Chem.
, vol.58
, pp. 57-83
-
-
Scheraga, H.A.1
Khalili, M.2
Liwo, A.3
|