computer modeling in molecular biology.pdf

100 Shoshana J. Wodak, Daniel van Belle, and Martine P&ost[29] Mauguen, Y., Hartley, R. W., Dodson, E. J., Dodson, G. G., Bricogne, G., Chothia, C.,Jack, A., Nature 1982, 297, 162.[30] Mauguen, Y., personal communication.[31] Fersht, A. R., personal communication.[32] Hartley, R. W., Biochemistry 1968, 7, 2401.[33] Verlet, L., Phys. Rev. 1967, 159, 98.[34] Swope, W. C., Andersen, H. C., Berens, H., Wilson, K. R., J. Chem. Phys. 1982, 76, 637.[35] van Gunsteren, W. F., Berendsen, H. J. C., Mol. Phys. 1977, 34, 1311.[36] Ryckaert, J. P., Cicotti, G., Berendsen, H. J. C., J. Comp. Phys., 1977, 23, 327.[37] Blaney, J. M., Weiner, P. K., Dearing, A., Kollmann, P. A,, Jorgensen, E. C., Oatley,S. J., Burridge, J. M., Blake, C. C. F., J Am. Chem. SOC. 1982, 104, 6424.[38] Brooks, B. R., Bruccoleri, R. E., Olafson, B. D., Swaminanthan, S., Karplus, M., J.Comp. Chem. 1983, 87, 1883.[39] Hermans, J., Berendsen, H. J. C., van Gunsteren, W. F., Biopolymers 1984, 23, 1513.[40] Jorgensen, W. L., Tirado-Rives, J., J. Am. Chem. SOC. 1988, 110, 1657.[41] Clementi, E., Cavallone, F., Scordamaglia, R., J. Am. Chem. SOC. 1977, 99, 5531.[42] Carozzo, L., Corongiu, G., Petrongolo, C., Clementi, E., J. Chem. Phys. 1978, 68, 787.[43] Jorgensen, W. L., J Am. Chem. SOC. 1981, 79, 926.[44] De Leeuw, S. W., Perram, J. W., Smith, E. R., Proc. R. SOC. London A 1980, 373, 27.[45] Brooks, C. L., Pettitt, B. M., Karplus, M., J. Chem. Phys. 1985, 83, 5897.[46] Prhost, M., van Belle, D., Lippens, G., Wodak, S. J., Mol. Phys. 1990, 71, 587.[47] Ewald, P. P., Ann. Phys. 1921, 64, 253.[48] Fletcher, R., Reeves, C. M., Comput. J. 1964, 7, 149.[49] Alard, P., Mdmoire de Licence, Universitt Libre de Bruxelles, Belgium, 1982.[50] Pangali, C., Rao, M. , Berne, B. J., Mol. Phys. 1980, 40, 661.[51] Delhaise, P., van Belle, D., Bardiaux, M., Alard, P., Hamers, P., van Cutsem, E.,Wodak, S. J., .l Mol. Graphics 1985, 3, 116.[52] McLachlan, A. D., J. Mol. Biol. 1979, 128, 49.(531 Cooper, A., Proc. Natl. Acad. Sci. 1976, 73, 2740.[54] Alard, P., Ph. D. Thesis, Universite Libre de Bruxelles, Belgium, 1991.[55] Holmes, M. A., Matthews, B. W., J Mol. Biol. 1982, 160, 623.[56] Baker, E. N., Hubbard, R. E., Prog. Biophys. Mol. Biol. 1984, 44, 97.[57] Otting, G., Liepinsh, E., Wiithrich, K., J. Am. Chem. SOC. 1991, 113, 4363.I581 Jeng, M. F., Englander, S. W., Elove, G. A., Wang, J. A., Roder, H., Biochemistry 1990,29, 10433.[59] Mossakowska, D., Nyberg, K., Fersht, A., Biochemistry 1989, 28, 3843.[60] Meiering, E., Bycroft, M., Fersht, A., Biochemistry 1991, 30, 11348.[61] Meiering, E., Serrano, L., Fersht, A., J. Mol. Biol. 1992, 225, 585.[62] Horowitz, A., Serrano, L., Avron, B., Bycroft, M., Fersht, A., J. Mol. Biol. 1990, 216,1031.[63] Horowitz, A., Fersht, A., J. Mol. Biol. 1992, 224, 733.[64] Berendsen, H. J. C., van Gunsteren, W. F., Zwinderman, H. R. J., Geurtsen, R. G., Ann.N. X Acad. Sci. 1986, 482, 269.[65] Ahlstrom, P., Teleman, O., Jonsson, B., J Am. Chem. SOC. 1988, 110, 4198.[66] Brooks, C. L. 111, Karplus, M., J. Mol. Biol. 1989, 208, 159.[67] Otting, G., Wiithrich, K., J. Am. Chem. SOC. 1989, Ill, 1871.[68] Otting, G., Liepinsh, E., Farmer, B. T., Wiithrich, K., J. Biomol. NMR 1991, 1, 209.[69] Otting, G., Liepinsh, E., Wiithrich, K., Science 1991, 254, 974.[70] Swaminathan, S., Harisson, S. W., Beveridge, D. C., J Am. Chem. SOC. 1978, 100, 5705.[71] Jorgensen, W. L., J Chem. Phys. 1982, 77, 5787.