-
1
-
-
0029011701
-
-
See, e.g., MacKerell, A.D., Jr., Wiorkiewicz-Kuczera, J. and Karplus, M., J. Am. Chem. Soc. 117, 11946 (1995); Jorgensen, J.L. and Tirado-Rives, J., J. Am. Chem. Soc 110, 1657 (1988); and references therein
-
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., and Kollman, P. A., 1995. J. Am. Chem. Soc., 117:5179 See, e.g., MacKerell, A.D., Jr., Wiorkiewicz-Kuczera, J. and Karplus, M., J. Am. Chem. Soc. 117, 11946 (1995); Jorgensen, J.L. and Tirado-Rives, J., J. Am. Chem. Soc 110, 1657 (1988); and references therein
-
(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
-
2
-
-
0021501076
-
-
Poltev, V. I., Grokhlina, T. I., and Malenkov, G. G., 1984. J. Biomol. Struct. Dyn., 2:413–429.
-
(1984)
J. Biomol. Struct. Dyn.
, vol.2
, pp. 413-429
-
-
Poltev, V.I.1
Grokhlina, T.I.2
Malenkov, G.G.3
-
3
-
-
0000114860
-
-
Zhurkin, V. B., Poltev, V. I., and Florentiev, V. I., 1980. Mol. Biol. (Moscow) Engl. Transi, 14:882–895.
-
(1980)
Mol. Biol. (Moscow) Engl. Transi
, vol.14
, pp. 882-895
-
-
Zhurkin, V.B.1
Poltev, V.I.2
Florentiev, V.I.3
-
5
-
-
84990631999
-
-
Poltev, V. I., Teplukhin, A. V., and Malenkov, G. G., 1992. Int. J. Quant. Chem., 42:1499–1514.
-
(1992)
Int. J. Quant. Chem.
, vol.42
, pp. 1499-1514
-
-
Poltev, V.I.1
Teplukhin, A.V.2
Malenkov, G.G.3
-
6
-
-
0040008175
-
-
Teplukhin, A. V., Zhurkin, V. B., Jernigan, R. L., and Poltev, V. I., 1996. Mol. Biol. (Moscow) Engl. Transi., 30:75–84.
-
(1996)
Mol. Biol. (Moscow) Engl. Transi.
, vol.30
, pp. 75-84
-
-
Teplukhin, A.V.1
Zhurkin, V.B.2
Jernigan, R.L.3
Poltev, V.I.4
-
7
-
-
84988091754
-
-
Jayaram, B., Mezei, M., and Beveridge, D. L., 1987. J. Comput. Chem., 8:917–941.
-
(1987)
J. Comput. Chem.
, vol.8
, pp. 917-941
-
-
Jayaram, B.1
Mezei, M.2
Beveridge, D.L.3
-
8
-
-
0011390532
-
-
Alagona, G., Ghio, C., and Kollman, P. A., 1985. J. Am. Chem. Soc., 107:2229–2239.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 2229-2239
-
-
Alagona, G.1
Ghio, C.2
Kollman, P.A.3
-
11
-
-
0004244831
-
-
Bockris J.O.M., Conway B.E., (eds), N.Y.: Plenum Press
-
Desnoyers, J. E., and Jolicoeur, C., 1969. Modern aspects of electrochemistry Edited by:Bockris, J. O'M., and Conway, B. E., N.Y.:Plenum Press.
-
(1969)
Modern aspects of electrochemistry
-
-
Desnoyers, J.E.1
Jolicoeur, C.2
-
14
-
-
0030011936
-
-
Poltev, V. I., Malenkov, G. G., Gonzalez, E. J., Teplukhin, A. V., Rein, R., Shibata, M., and Miller, J. H., 1996. J. Biomol. Struct. Dyn., 13:717–725.
-
(1996)
J. Biomol. Struct. Dyn.
, vol.13
, pp. 717-725
-
-
Poltev, V.I.1
Malenkov, G.G.2
Gonzalez, E.J.3
Teplukhin, A.V.4
Rein, R.5
Shibata, M.6
Miller, J.H.7
-
15
-
-
1542365896
-
-
Feller, D., Glendening, E. D., Woon, D. E., and Feyereisen, M. W., 1995. J. Chem. Phys., 103:3526–3542.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 3526-3542
-
-
Feller, D.1
Glendening, E.D.2
Woon, D.E.3
Feyereisen, M.W.4
-
17
-
-
0039818122
-
-
Dogonadze R., (ed), Amsterdam etc.: Elsevier, pt. A
-
Malenkov, G. G., 1985. The chemical physics of solvation Edited by:Dogonadze, R., 355–389. Amsterdam etc.:Elsevier. pt. A
-
(1985)
The chemical physics of solvation
, pp. 355-389
-
-
Malenkov, G.G.1
-
18
-
-
0001999723
-
-
Franks F., (ed), N.Y.: Plenum Press
-
Friedman, H. L., and Krishnan, C. V., 1973. Water:A comprehensive treatise Edited by:Franks, F., Vol. 3, 1–118. N.Y.:Plenum Press.
-
(1973)
Water: A comprehensive treatise
, vol.3
, pp. 1-118
-
-
Friedman, H.L.1
Krishnan, C.V.2
-
19
-
-
0002623396
-
-
Russian J. Phys. Chem
-
Vasil'ev, V. P., Zolotarev, E. K., Kapustinskii, A. F., Mischenko, K. P., Podgomaya, E. A., and Yatsimirskii, K. B., 1960. Zh. Fiz. Khim. (Moscow), 34:1763–1767. Russian J. Phys. Chem
-
(1960)
Zh. Fiz. Khim. (Moscow)
, vol.34
, pp. 1763-1767
-
-
Vasil'ev, V.P.1
Zolotarev, E.K.2
Kapustinskii, A.F.3
Mischenko, K.P.4
Podgomaya, E.A.5
Yatsimirskii, K.B.6
-
21
-
-
0020799597
-
-
Alagona, G., Ghio, C., and Kollman, P. A., 1983. J. Am. Chem. Soc., 105:5226–5230.
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 5226-5230
-
-
Alagona, G.1
Ghio, C.2
Kollman, P.A.3
-
23
-
-
0000732930
-
-
Pandit, J., Seshadri, T. P., and Viswamitra, M. A., 1983. Acta Cryst., C39:342–345.
-
(1983)
Acta Cryst.
, vol.C39
, pp. 342-345
-
-
Pandit, J.1
Seshadri, T.P.2
Viswamitra, M.A.3
-
24
-
-
0030443476
-
-
Schneider, B., Kabelac, M., and Hobza, P., 1983. J. Am. Chem. Soc., 118:12207–12217.
-
(1983)
J. Am. Chem. Soc.
, vol.118
, pp. 12207-12217
-
-
Schneider, B.1
Kabelac, M.2
Hobza, P.3
-
25
-
-
0001257482
-
-
Young, D. W., Tollin, P., and Wilson, H. R., 1974. Acta Cryst., B30:2012–2018.
-
(1974)
Acta Cryst.
, vol.B30
, pp. 2012-2018
-
-
Young, D.W.1
Tollin, P.2
Wilson, H.R.3
-
26
-
-
0017173727
-
-
Camerman, N., Fawcett, J. K., and Camerman, A., 1976. J. Mol. Biol., 107:601–621.
-
(1976)
J. Mol. Biol.
, vol.107
, pp. 601-621
-
-
Camerman, N.1
Fawcett, J.K.2
Camerman, A.3
-
27
-
-
84965102253
-
-
Seeman, N. C., Rosenberg, J. M., Suddath, F. L., Kim, J. J.P., and Rich, A., 1976. J. Mol. Biol., 104:109–144.
-
(1976)
J. Mol. Biol.
, vol.104
, pp. 109-144
-
-
Seeman, N.C.1
Rosenberg, J.M.2
Suddath, F.L.3
Kim, J.J.P.4
Rich, A.5
-
28
-
-
0017194965
-
-
Rosenberg, J. M., Seeman, N. C., Day, R. O., and Rich, A., 1976. J. Mol. Biol., 104:145–167.
-
(1976)
J. Mol. Biol.
, vol.104
, pp. 145-167
-
-
Rosenberg, J.M.1
Seeman, N.C.2
Day, R.O.3
Rich, A.4
-
31
-
-
0041300942
-
-
Srinivasan R., Sarma R.H., (eds), N.Y.: Adenine Press
-
Viswamitra, M. A., Hosur, M. V., and Katti, S. K., 1983. Conformation in Biology, the Festschrift celebrating the sixtieth birthday of G.N. Ramachandran F.R.S Edited by:Srinivasan, R., and Sarma, R. H., 439–444. N.Y.:Adenine Press.
-
(1983)
Conformation in Biology, the Festschrift celebrating the sixtieth birthday of G.N. Ramachandran F.R.S
, pp. 439-444
-
-
Viswamitra, M.A.1
Hosur, M.V.2
Katti, S.K.3
-
32
-
-
85023945297
-
-
Actually MC simulation does not allow to obtain dynamic characteristics of the system and to observe the process of dissociation in paricular. But of course tendency for dissociation of the complexes as a transition of a system to a more probable state with lower energy can be demonstrated as well as the most plausible pathways and transition states can be studied by MC simulation
-
Actually MC simulation does not allow to obtain dynamic characteristics of the system and to observe the process of dissociation in paricular. But of course tendency for dissociation of the complexes as a transition of a system to a more probable state with lower energy can be demonstrated as well as the most plausible pathways and transition states can be studied by MC simulation
-
-
-
-
35
-
-
0041300941
-
-
Katti, S. K., Seshadri, T. P., and Viswamitra, M. A., 1980. Curr. Sci., 49:533–535.
-
(1980)
Curr. Sci.
, vol.49
, pp. 533-535
-
-
Katti, S.K.1
Seshadri, T.P.2
Viswamitra, M.A.3
-
36
-
-
85023908131
-
-
Perahia, D., Pullman, A., and Pullman, B., 1977. Theoret. Chim. Acta (Berl.), 43:215–225.
-
(1977)
Theoret. Chim. Acta (Berl.)
, vol.43
, pp. 215-225
-
-
Perahia, D.1
Pullman, A.2
Pullman, B.3
-
37
-
-
33748614588
-
-
Burda, J. V., Sponer, J., and Hobza, P., 1996. J. Phys. Chem., 100:7250–7255.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 7250-7255
-
-
Burda, J.V.1
Sponer, J.2
Hobza, P.3
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