-
2
-
-
0000345512
-
-
Astley, T.; Birch, G. G.; Drew, M. G. B.; Rodger, P. M. J. Phys. Chem. A 1999, 103, 5080
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 5080
-
-
Astley, T.1
Birch, G.G.2
Drew, M.G.B.3
Rodger, P.M.4
-
9
-
-
1542285296
-
-
Corzana, F.; Motawia, M. F.; Du Penhoat, C., H.; Perez, S.; Tschampel, S. M.; Woods, R. J.; Engelsen, S. J. Comput. Chem. 2004, 25, 573
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 573
-
-
Corzana, F.1
Motawia, M.F.2
Du Penhoat . C, H.3
Perez, S.4
Tschampel, S.M.5
Woods, R.J.6
Engelsen, S.7
-
10
-
-
0035965871
-
-
Engelsen, S. B.; Monteirob, C.; Herve de Penhoatb, C.; Perez, S. Biophys. Chem. 2001, 93, 103
-
(2001)
Biophys. Chem.
, vol.93
, pp. 103
-
-
Engelsen, S.B.1
Monteirob, C.2
Herve De Penhoatb, C.3
Perez, S.4
-
11
-
-
33845520298
-
-
224505
-
Mason, P. E.; Neilson, G. W.; Enderby, J. E.; Cuello, G.; Brady, J. W. J. Chem. Phys. 2006, 125 224505
-
(2006)
J. Chem. Phys.
, vol.125
-
-
Mason, P.E.1
Neilson, G.W.2
Enderby, J.E.3
Cuello, G.4
Brady, J.W.5
-
13
-
-
33845551710
-
-
Impey, R. W.; Madden, P. A.; McDonald, I. R. J. Phys. Chem. 1983, 87, 5071
-
(1983)
J. Phys. Chem.
, vol.87
, pp. 5071
-
-
Impey, R.W.1
Madden, P.A.2
McDonald, I.R.3
-
14
-
-
0000564603
-
-
Buchner, R.; Capewell, S. G.; Hefter, G.; May, P. M. J. Phys. Chem. B 1999, 103, 1185
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 1185
-
-
Buchner, R.1
Capewell, S.G.2
Hefter, G.3
May, P.M.4
-
15
-
-
0034413850
-
-
Kaatze, U.; Hushcha, T. O.; Eggers, F. J. Solution Chem. 2000, 29, 299
-
(2000)
J. Solution Chem.
, vol.29
, pp. 299
-
-
Kaatze, U.1
Hushcha, T.O.2
Eggers, F.3
-
17
-
-
12044252945
-
-
Hajduk, P. J.; Horita, D. A.; Lerner, L. E. J. Am. Chem. Soc. 1993, 115, 9196
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 9196
-
-
Hajduk, P.J.1
Horita, D.A.2
Lerner, L.E.3
-
18
-
-
0034906950
-
-
DiBari, M.; Cavatorta, F.; Deriu, A.; Albanese, G. Biophys. J. 2001, 81, 1190
-
(2001)
Biophys. J.
, vol.81
, pp. 1190
-
-
Dibari, M.1
Cavatorta, F.2
Deriu, A.3
Albanese, G.4
-
20
-
-
33748597945
-
-
Ishihara, Y.; Okouchi, S.; Uedaira, H. J. Chem. Soc., Faraday Trans. 1997, 93, 3337
-
(1997)
J. Chem. Soc., Faraday Trans.
, vol.93
, pp. 3337
-
-
Ishihara, Y.1
Okouchi, S.2
Uedaira, H.3
-
21
-
-
84856220528
-
-
Calculating Ring Pucker Free Energy Surfaces from Reaction Coordinate Forces. In; Wei, D.-Q., Ed.; American Institute of Physics: Shanghai, China,; 2009, Vol.; pp 214.
-
Barnett, C. B.; Naidoo, K. J. Calculating Ring Pucker Free Energy Surfaces from Reaction Coordinate Forces. In Theory and Applications of Computational Chemistry; Wei, D.-Q., Ed.; American Institute of Physics: Shanghai, China, 2008; 2009, Vol. 1102; pp 214.
-
(2008)
Theory and Applications of Computational Chemistry
, vol.1102
-
-
Barnett, C.B.1
Naidoo, K.J.2
-
28
-
-
0035868780
-
-
Vishnyakov, A.; Lyubartsev, A. P.; Laaksonen, A. J. Phys. Chem. 2001, 105, 1702
-
(2001)
J. Phys. Chem.
, vol.105
, pp. 1702
-
-
Vishnyakov, A.1
Lyubartsev, A.P.2
Laaksonen, A.3
-
29
-
-
73349137333
-
-
Guvench, O.; Hatcher, E.; Venable, R. M.; Pastor, R. W.; MacKerell, A. D. J. Chem. Theory Comp. 2009, 5, 2353
-
(2009)
J. Chem. Theory Comp.
, vol.5
, pp. 2353
-
-
Guvench, O.1
Hatcher, E.2
Venable, R.M.3
Pastor, R.W.4
MacKerell, A.D.5
-
30
-
-
0036771632
-
-
Kuttel, M. M.; Brady, J. W.; Naidoo, K. J. J. Comput. Chem. 2002, 23, 1236
-
(2002)
J. Comput. Chem.
, vol.23
, pp. 1236
-
-
Kuttel, M.M.1
Brady, J.W.2
Naidoo, K.J.3
-
31
-
-
67650500988
-
-
Brooks, B. R.; Brooks, C. L.; Mackerell, A. D.; Nilsson, L.; Petrella, R. J.; Roux, B.; Won, Y.; Archontis, G.; Bartels, C.; Boresch, S.; Caflisch, A.; Caves, L.; Cui, Q.; Dinner, A. R.; Feig, M.; Fischer, S.; Gao, J.; Hodoscek, M.; Im, W.; Kuczera, K.; Lazaridis, T.; Ma, J.; Ovchinnikov, V.; Paci, E.; Pastor, R. W.; Post, C. B.; Pu, J. Z.; Schaefer, M.; Tidor, B.; Venable, R. M.; Woodcock, H. L.; Wu, X.; Yang, W.; York, D. M.; Karplus, M. J. Comput. Chem. 2009, 30, 1545
-
(2009)
J. Comput. Chem.
, vol.30
, pp. 1545
-
-
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
York, D.M.34
Karplus, M.35
more..
-
32
-
-
84986512474
-
-
Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. J. Comput. Chem. 1983, 4 (2) 187
-
(1983)
J. Comput. Chem.
, vol.4
, Issue.2
, pp. 187
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
34
-
-
0037087047
-
-
Zhou, H.; Tajkhorshid, E.; Frauenheim, T.; Suhai, S.; Elstner, M. Chem. Phys. 2002, 277, 91
-
(2002)
Chem. Phys.
, vol.277
, pp. 91
-
-
Zhou, H.1
Tajkhorshid, E.2
Frauenheim, T.3
Suhai, S.4
Elstner, M.5
-
35
-
-
34848849542
-
-
Xu, D.; Guo, H.; Cui, Q. J. Am. Chem. Soc. 2007, 129, 10814
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 10814
-
-
Xu, D.1
Guo, H.2
Cui, Q.3
-
37
-
-
77956642470
-
-
Barnett, C. B.; Wilkinson, K. A.; Naidoo, K. J. J. Am. Chem. Soc. 2010, 132, 12800
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 12800
-
-
Barnett, C.B.1
Wilkinson, K.A.2
Naidoo, K.J.3
-
38
-
-
1542779956
-
-
Elstner, M.; Porezag, D.; Jungnickel, G.; Elsner, J.; Haugk, M.; Frauenheim, T.; Suhai, S.; Seifert, G. Phys. Rev. B 1998, 58, 7260
-
(1998)
Phys. Rev. B
, vol.58
, pp. 7260
-
-
Elstner, M.1
Porezag, D.2
Jungnickel, G.3
Elsner, J.4
Haugk, M.5
Frauenheim, T.6
Suhai, S.7
Seifert, G.8
-
39
-
-
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
-
40
-
-
2942622288
-
-
Horn, H. W.; Swope, W. C.; Pitera, J. W.; Madura, J. D.; Dick, T. J.; Hura, G. L.; Head-Gordon, T. J. Chem. Phys. 2004, 120, 9665
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 9665
-
-
Horn, H.W.1
Swope, W.C.2
Pitera, J.W.3
Madura, J.D.4
Dick, T.J.5
Hura, G.L.6
Head-Gordon, T.7
-
47
-
-
0000503646
-
-
Schmidt, R. K.; Karplus, M.; Brady, J. W. J. Am. Chem. Soc. 1996, 118, 541
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 541
-
-
Schmidt, R.K.1
Karplus, M.2
Brady, J.W.3
-
50
-
-
0035138648
-
-
Cui, Q.; Elstner, M.; Kaxiras, E.; Frauenheim, T.; Karplus, M. J. Phys. Chem. B 2001, 105, 569
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 569
-
-
Cui, Q.1
Elstner, M.2
Kaxiras, E.3
Frauenheim, T.4
Karplus, M.5
|