QXP: Powerful, rapid computer algorithms for structure-based drug design (original) (raw)
References
Erickson, J.W. and Fesik, S.W., In Venuti, M.C. (Ed.) Annual Reports of Medicinal Chemistry, Academic Press, New York, NY, U.S.A., 1992, p. 271. Google Scholar
Greer, J., Erickson, J.W., Baldwin, J.J. and Varney, J., J. Med. Chem., 37 (1994) 1035. Google Scholar
Bohacek, R.S., McMartin, C. and Guida, W.C., Rev. Med. Chem., in press.
Kearsley, S.K. and Smith, G.M., Tetrahedron Comput. Methodol., 3 (1990) 615. Google Scholar
Klebe, G., Mietzner, T. and Weber, F., J. Comput.-Aided Mol. Design, 8 (1994) 751. Google Scholar
McMartin, C. and Bohacek, R.S., J. Comput.-Aided Mol. Design, 9 (1995) 237. Google Scholar
Guida, W.C., Bohacek, R.S. and Erion, M.D., J. Comput. Chem., 13 (1992) 214. Google Scholar
Weiner, S.J., Kollman, P.A., Case, D.A., Singh, U.C., Ghio, C., Algona, G., Profeta, S. and Weiner, P., J. Am. Chem. Soc., 106 (1984) 765. Google Scholar
Mohamadi, F., Richards, N.G., Guida, W.C., Liskamp, R., Lipton, M., Caufield, C., Chang, G., Hendrikson, T. and Still, C., J. Comput. Chem., 11 (1990) 440. Google Scholar
Polak, E. and Ribiere, G., Revue Française Inf. Rech. Oper., 16-R1 (1969) 35. Google Scholar
Metropolis, N., Rosenbluth, A., Rosaenbluth, M., Teller, A. and Teller, E., J. Chem. Phys., 21 (1953) 1087. Google Scholar
Abol, E.E., Bernstein, F.C., Bryant, S.H., Koetzle, T.F. and Weng, J., In Allen, F.H., Bergerhoff, G. and Sievers, R. (Eds.) Crystallographic Data-bases - Information Content, Software Systems, Scientific Applications, Data Commission of the International Union of Crystallography, Bonn/Cambridge/Chester, 1987, pp. 107–132. Google Scholar
Roderick, S.L., Fournie-Zaluski, M.C., Roques, B.P. and Matthews, B.W., Biochemistry, 28 (1989) 1493. Google Scholar
Monzingo, A.F. and Matthews, B.W., Biochemistry, 21 (1982) 3390. Google Scholar
Bone, R., Vacca, J.P., Anderson, P.S. and Holloway, M.K., J. Am. Chem. Soc., 113 (1991) 9382. Google Scholar
Hosur, M.V., Bhat, T.N., Kemp, D., Baldwin, E.T., Liu, B., Gulnik, S., Wideburg, N.E., Norbeck, D.W., Appelt, K. and Erickson, J.W., J. Am. Chem. Soc., 116 (1994) 847. Google Scholar
Bolin, J.T., Filman, D.J., Matthews, D.A., Hamlin, R.C. and Kraut, J., J. Biol. Chem., 257 (1982) 13650. Google Scholar
Kim, H. and Lipscomb, W.N., Biochemistry, 30 (1991) 8171. Google Scholar
Cheetam, J.C., Artymuik, P.J. and Phillips, D.C., J. Mol. Biol., 224 (1993) 613. Google Scholar
Wilson, D.K., Rudolph, F.B. and Quicho, F.A., Science, 252 (1991) 1278. Google Scholar
Bode, W., Mayr, I., Baumann, U., Huber, R., Stone, S.R. and Hofsteenge, J., EMBO J., 8 (1989) 3467. Google Scholar
Cowan, S.W., Newcomer, M.E. and Jones, T.A., Proteins, 8 (1990) 44. Google Scholar
Weber, P.C., Ohlendorf, D.H., Wendoloski, J.J. and Salemme, F.R., Science, 85 (1989) 243. Google Scholar
Teeter, M.M., Proc. Natl. Acad. Sci. USA, 81 (1984) 6104. Google Scholar
Sacchettini, J.C., Gordon, J.I. and Banszak, L.J., J. Mol. Biol., 208 (1989) 327. Google Scholar
Wlodawer, A., Walter, J., Huber, L. and Sjolin, L., J. Mol. Biol., 180 (1984) 301. Google Scholar
Whitlow, M. and Teeter, M.M., J. Am. Chem. Soc., 108 (1986) 7163. Google Scholar
Cushman, D.W., Cheung, H.S., Sabo, E.F. and Ondetti, M.A., Biochemistry, 16 (1977) 5484. Google Scholar
Hassall, C.H., Kroehn, A., Moody, C.J. and Thomas, W.A., J. Chem. Soc. Perkin Trans. I, (1984) 155. Google Scholar
Weller, H.N., Gordon, E.M., Rom, M.B. and Plusces, J., Biochem. Biophys. Res. Commun., 125 (1984) 82. Google Scholar
Watthey, J.W.H., Stanton, J.L., Desai, M., Babiarz, J.E. and Finn, B.M., J. Med. Chem., 28 (1985) 1511. ACE activity was measured with the substrate hippuryl-His-Leu using the procedure described by Cushman, D.W. and Cheung, H.W., Biochem. Pharmacol., 20 (1971) 1637. Google Scholar
Andrews, P.R., Carson, J.M., Caselli, A., Spark, M.J. and Woods, R., J. Med. Chem., 28 (1985) 393. Google Scholar
Mayer, D., Naylor, C.B., Motoc, I. and Marshall, G.R., J. Comput.-Aided Mol. Design, 1 (1987) 3. Google Scholar
Hausin, R.J. and Codding, P.W., J. Med. Chem., 33 (1990) 1940. Google Scholar
MacroModel v. 2.5 was obtained from Professor W. Clark Still, Columbia University, New York, NY, U.S.A.
Bohacek, R.S.B. and McMartin, C., J. Am. Chem. Soc., 116 (1994) 5560. Google Scholar
Bohacek, R.S., De Lombaert, S., McMartin, C., Priestle, J. and Gruetter, M., J. Am. Chem. Soc., 118 (1996) 8231. Google Scholar
Meng, E.C., Shoichet, B.K. and Kuntz, I.D., J. Comput. Chem., 13 (1992) 505. Google Scholar
Goodsell, D.S. and Olsen, A.J., Proteins Struct. Funct. Genet., 8 (1990) 195. Google Scholar
Sobolev, V., Wade, R.C., Vriend, G. and Edelman, M., Proteins, 25 (1996) 120. Google Scholar
Mitzutani, M.Y., Tomioka, N. and Itai, A., J. Mol. Biol., 235 (1994) 318. Google Scholar
Hart, T.N. and Read, R.J., Proteins, 13 (1992) 206. Google Scholar
Welch, W., Ruppert, J. and Jain, A.N., Chem. Biol., 3 (1996) 449. Google Scholar
Kuntz, I.D., Meng, E.C. and Shoichet, B.K., Acc. Chem. Res., 27 (1994) 117. Google Scholar
Ksander, G.M., De Jesus, R., Yuan, A., Ghai, R.D., Trapani, A., McMartin, C. and Bohacek, R., J. Med. Chem., 40 (1997) 495. Google Scholar
Ksander, G.M., De Jesus, R., Yuan, A., Ghai, R.D., McMartin, C. and Bohacek, R., J. Med. Chem., 40 (1997) 506. Google Scholar