Harvey, 1989, Proteins: Struct. Funct. Genet., 5, 78, 10.1002/prot.340050109
Davis, 1990, Chem. Rev., 90, 509, 10.1021/cr00101a005
H.J.C. Berendsen, in: W.F. van Gunsteren, P.K. Weiner, A.J. Wilkinson (Eds.), Electrostatic Interactions (Computer Simulation of Biomolecular Systems, Theoretical and Experimental Applications, vol. II, ESCOM, Leiden, 1993, p. 161.
P.E. Smith, W.F. van Gunsteren, in: W.F. van Gunsteren, P.K. Weiner, A.J. Wilkinson (Eds.), Methods for the Evaluation of Long Range Electrostatic Forces in Computer Simulations of Molecular Systems (Computer simulation of biomolecular systems, theoretical and experimental applications, vol. II, ESCOM, Leiden, 1993, p. 182.
Levy, 1998, Annu. Rev. Phys. Chem., 49, 531, 10.1146/annurev.physchem.49.1.531
M.P. Allen, D.J. Tildesley, Computer Simulation of Liquids, Oxford University Press, New York, 1987.
de Leeuw, 1980, Proc. R. Soc. London, Ser A, 373, 27, 10.1098/rspa.1980.0135
Toukmaji, 1996, Comput. Phys. Commun., 95, 73, 10.1016/0010-4655(96)00016-1
R.W. Hockney, J.W. Eastwood, Computer Simulation using Particles, Institute of Physics Publishing, Bristol, 1988.
Luty, 1994, Mol. Sim., 14, 11, 10.1080/08927029408022004
Luty, 1995, J. Chem. Phys., 103, 3014, 10.1063/1.470490
Darden, 1993, J. Chem. Phys., 98, 10089, 10.1063/1.464397
Essmann, 1995, J. Chem. Phys., 103, 8577, 10.1063/1.470117
Petersen, 1995, J. Chem. Phys., 103, 3668, 10.1063/1.470043
White, 1994, J. Chem. Phys., 101, 6593, 10.1063/1.468354
Figueirido, 1997, J. Phys. Chem., 106, 9835, 10.1063/1.474115
Challacombe, 1997, J. Chem. Phys., 107, 10131, 10.1063/1.474150
Neumann, 1983, Mol. Phys., 50, 841, 10.1080/00268978300102721
Neumann, 1984, Mol. Phys., 52, 97, 10.1080/00268978400101081
Brooks III, 1987, J. Chem. Phys., 86, 5156, 10.1063/1.452636
Madura, 1988, Chem. Phys. Lett., 150, 105, 10.1016/0009-2614(88)80404-4
Straatsma, 1989, J. Chem. Phys., 89, 5876, 10.1063/1.455539
Wood, 1995, J. Chem. Phys., 103, 6177, 10.1063/1.470445
Pettitt, 1986, J. Chem. Phys., 84, 5836, 10.1063/1.449894
Dang, 1990, J. Phys. Chem., 94, 4303, 10.1021/j100373a078
Guàrdia, 1991, J. Chem. Phys., 95, 2823, 10.1063/1.460934
Dang, 1992, J. Chem. Phys., 96, 4046, 10.1063/1.461859
Bader, 1992, J. Phys. Chem., 96, 6423, 10.1021/j100194a059
Hummer, 1993, Mol. Phys., 81, 1155, 10.1080/00268979400100771
Del Buono, 1996, Chem. Phys. Lett., 263, 521, 10.1016/S0009-2614(96)01234-1
Smith, 1991, J. Chem. Phys., 95, 8430, 10.1063/1.461272
Schreiber, 1992, Biochemistry, 31, 5856, 10.1021/bi00140a022
Schreiber, 1992, Chem. Phys., 168, 75, 10.1016/0301-0104(92)80111-8
Schreiber, 1992, J. Mol. Biol., 228, 909, 10.1016/0022-2836(92)90874-J
Loncharich, 1989, Proteins: Struct. Funct. Genet., 6, 32, 10.1002/prot.340060104
Steinbach, 1994, J. Comput. Chem., 15, 667, 10.1002/jcc.540150702
Barker, 1973, Mol. Phys., 26, 789, 10.1080/00268977300102101
Alper, 1989, J. Chem. Phys., 91, 1242, 10.1063/1.457198
Hummer, 1994, J. Phys.: Condens. Matter, 6, A141, 10.1088/0953-8984/6/23A/018
Tironi, 1995, J. Chem. Phys., 102, 5451, 10.1063/1.469273
Hünenberger, 1998, J. Chem. Phys., 108, 6117, 10.1063/1.476022
Del Buono, 1994, J. Mol. Liq., 60, 221, 10.1016/0167-7322(94)00746-2
Lau, 1994, J. Phys. Chem., 98, 8785, 10.1021/j100086a032
Perera, 1994, J. Chem. Phys., 102, 450, 10.1063/1.469422
York, 1993, J. Chem. Phys., 99, 8345, 10.1063/1.465608
Fox, 1996, Proteins: Struct. Funct. Genet., 25, 315, 10.1002/(SICI)1097-0134(199607)25:3<315::AID-PROT4>3.0.CO;2-E
Mohan, 1993, J. Phys. Chem., 97, 12984, 10.1021/j100151a055
Cheatham III, 1996, J. Mol. Biol., 259, 434, 10.1006/jmbi.1996.0330
Cheatham III, 1997, Structure, 5, 1297, 10.1016/S0969-2126(97)00282-7
Cheatham III, 1997, Proc. Natl. Acad. Sci. USA, 94, 9626, 10.1073/pnas.94.18.9626
Young, 1997, Biophys. J., 73, 2313, 10.1016/S0006-3495(97)78263-8
Auffinger, 1996, J. Mol. Biol., 269, 326, 10.1006/jmbi.1997.1022
Auffinger, 1998, Curr. Opin. Struct. Biol., 8, 227, 10.1016/S0959-440X(98)80044-4
Smith, 1996, J. Chem. Phys., 105, 4289, 10.1063/1.472246
Hummer, 1996, J. Phys. Chem., 100, 1206, 10.1021/jp951011v
Figueirido, 1997, J. Phys. Chem. B, 101, 5622, 10.1021/jp970882x
Hummer, 1997, J. Chem. Phys., 107, 9275, 10.1063/1.475219
Hünenberger, 1999, J. Chem. Phys., 101, 1856, 10.1063/1.477873
Nijboer, 1988, J. Stat. Phys., 53, 361, 10.1007/BF01011562
Cichocki, 1989, Phys. Rev. A, 39, 5350, 10.1103/PhysRevA.39.5350
Hummer, 1993, J. Chem. Phys., 98, 581, 10.1063/1.464600
Figueirido, 1995, J. Chem. Phys., 103, 6133, 10.1063/1.470721
Norberto de Souza, 1997, Biophys. J., 72, 2395, 10.1016/S0006-3495(97)78884-2
Reddy, 1988, Biochem. Biophys. Acta, 949, 87
McAfee, 1995, Biochemistry, 34, 10063, 10.1021/bi00031a031
Edmondson, 1995, Biochemistry, 34, 13289, 10.1021/bi00041a004
de Bakker, 1999, J. Mol. Biol., 285, 1811, 10.1006/jmbi.1998.2397
J.D. Madura, M.E. Davis, M.K. Gilson, R.C. Wade, B.A. Luty, J.A. McCammon, in: K.B. Lipkowitz, D.B. Boyd (Eds.), Biological Applications of Electrostatic Calculations and Brownian Dynamics Simulations (Reviews in computational chemistry, vol. 4), VCH, New York, 1994, p. 229.
MOLECULAR SIMULATION INC., Quanta version 4.0 parameter handbook. 200 Fifth Avenue, Waltham, MA 02154 (1992).
Goodsell, 1995, Biochemistry, 34, 1022, 10.1021/bi00003a037
W.F. van Gunsteren, S.R. Billeter, A.A. Eising et al. Biomolecular Simulation: The GROMOS96 Manual and User Guide, Verlag der Fachvereine, Zürich, 1996.
Daggett, 1993, J. Mol. Biol., 232, 600, 10.1006/jmbi.1993.1414
Tirado-Rives, 1993, Biochemistry, 32, 4175, 10.1021/bi00067a004
Hünenberger, 1995, Proteins: Struct. Funct. Genet., 21, 196, 10.1002/prot.340210303
Caflisch, 1995, J. Mol. Biol., 252, 672, 10.1006/jmbi.1995.0528
Onsager, 1936, J. Am. Chem. Soc., 58, 1486, 10.1021/ja01299a050
Born, 1920, Z. Phys., 1, 45, 10.1007/BF01881023
Luty, 1996, J. Phys. Chem., 100, 2581, 10.1021/jp9518623
