Seeing our way to drug design
Tóm tắt
Tài liệu tham khảo
Julius Caesar wrote these words some two millennia ago, after he had routed Pharnaces Ponticus at the first assault; in Plutarch's ‘Fall of the Roman Republic’, Viking Penguin Inc., New York, NY, 1972, pp. 291–292.
Hodgson, J., Bio/Technology, 11 (1993) 36.
Leventhal, C., Sci. Am., 214 (1965) 42.
Pique, M., personal communication.
O'Donnell, T.J. and Olson, A.J., Comput. Graphics, 15 (1981) 133.
Connolly, M.L. and Olson, A.J., Comput. Chem., 9 (1985) 1.
Perrin, T.E., Huang, C.C., Jarvis, L.E. and Langridge, R., J. Mol. Graphics, 6 (1988) 13.
Connolly, M.L., Ph.D. Thesis, University of California at Berkeley, CA, 1981.
Connolly, M.L., Science, 221 (1983) 709.
Connolly, M.L., J. Appl. Crystallogr., 16 (1983) 548.
Upson, C., Faulhauber Jr., T., Kamins, D., Laidlaw, D., Schlegel, D., Vroom, J., Gurwitz, R. and Van Dam, A., IEEE Comput. Graphics Appl., 9 (1989) 30.
Duncan, B.S., Pique, M. and Olson, A.J., In AVS for Molecular Modeling, Proceedings of 2nd Annual International AVS User Group Conference, Lake Buena Vista, 1993.
Jones, T.A., J. Appl. Crystallogr., 11 (1978) 268.
Diamond, R., In Sayer, D. (Ed.) Computational Crystallography, Clarendon Press, Oxford, 1982, pp. 318–325.
Barry, C.D., In Sayer, D. (Ed.) Computational Crystallography, Clarendon Press, Oxford, 1982, pp. 274–285.
Wright, W.V., In Sayer, D. (Ed.) Computational Crystallography, Clarendon Press, Oxford, 1982, pp. 294–302.
Greer, J. and Bush, B.L., Proc. Natl. Acad. Sci. USA, 75 (1978) 303.
Williams, T.V., Ph.D. Thesis, University of North Carolina, NC, 1982.
Jones, T.A. and Thirup, S., EMBO J., 5 (1986) 819.
McRee, D.E., J. Mol. Graphics, 10 (1992) 44.
Goodsell, D.S., Mian, I.S. and Olson, A.J., J. Mol. Graphics, 7 (1989) 41.
Totsuka, T. and Levoy, M., In Mair, S.G. (Ed.) Computer Graphics Proceedings, Annual Conference Series, ACM SIGGRAPH, Addison-Wesley, Reading, MA, 1993, pp. 127–134.
Billeter, M., Engeli, M. and Wüthrich, K., J. Mol. Graphics, 3 (1985) 79.
Sanner, M., Widmer, A., Senn, H. and Braun, W., J. Comput.-Aided Mol. Design, 3 (1989) 195.
Forster, M., Jones, C. and Mulloy, B., J. Mol. Graphics, 7 (1989) 196.
Rayment, I., Rypniewski, W.R., Schmidt-Bäse, K., Smith, R., Tomchick, D.R., Benning, M.M., Winkelmann, D.A., Wessenberg, G. and Holden, H.M., Science, 261 (1993) 50.
Rayment, I., Holden, H.M., Whittaker, M., Yohn, C.B., Lorenz, M., Holmes, K.C. and Milligan, R.A., Science, 261 (1993) 58.
Duncan, B.S. and Olson, A.J., Biopolymers, 33 (1993) 219.
Duncan, B.S. and Olson, A.J., Biopolymers, 33 (1993) 231.
Perutz, M., In Protein Structure: New Approaches to Disease and Therapy, Freeman, New York, NY, 1992, pp. 139–163.
Sanner, M., Ph.D. Thesis, Université de Haute-Alsace, Faculte des Sciences et Techniques.
Alard, P. and Woldak, S.J., J. Comput. Chem., 12 (1991) 918.
Ho, C.M.W. and Marshall, G.R., J. Comput.-Aided Mol. Design, 4 (1990) 337.
Widgerson, E. and Mayer, A.Y., Comput. Chem., 12 (1988) 237.
Goodford, P.J., J. Med. Chem., 28 (1985) 849.
Pickett, S.D. and Sternberg, M.J., J. Mol. Biol., 231 (1993) 825.
Urry, D.W., Gowda, D.C., Parker, T.M., Luan, C.H., Reid, M.C., Harris, C.M., Pattanaik, A. and Harris, R.D., Biopolymers, 32 (1992) 1243.
Casari, G. and Sippl, M.J., J. Mol. Biol., 224 (1992) 725.
Lesser, G.J. and Rose, G.D., Protein Struct. Funct. Genet., 8 (1990) 6.
Kellogg, G.E., Semus, S.F. and Abraham, D.J., J. Comput.-Aided Mol. Design, 5 (1991) 545.
Kuhn, L.A., Siani, M.A., Pique, M.E., Fisher, C.L., Getzoff, E.D. and Tainer, J.A., J. Mol. Biol., 228 (1992) 13.
Sharp, K.A., Nicholls, A., Fine, R.F. and Honig, B., Science, 252 (1991) 106.
Nicholls, A., Sharp, K.A. and Honig, B., Protein Struct. Funct. Genet., 11 (1991) 281.
Teschner, M., Henn, C., Brickmann, J., Vollhard, H. and Reiling, S., J. Mol. Graphics, submitted for publication.
Nilsson, O., J. Mol. Graphics, 8 (1990) 192.
Van Drie, J.H., Weininger, D. and Martin, Y.C., J. Comput.-Aided Mol. Design, 3 (1989) 225.
Mitchell, E.M., Allen, F.H. and Kennard, O., In Bowden, D., Mitchell, E.M. and Horwood, E.M. (Eds.) The Cambridge Structural Database System, Cambridge Press, Chichester, 1993, pp. 63–80.
Meng, E.C., Shoichet, B.K. and Kuntz, I.D., J. Comput. Chem., 13 (1992) 505.
Desjarlais, R.E., Seibel, G.L., Kuntz, I.D., Furth, P.S., Alvarez, J.C., Ortiz de Montellano, P.R., DeCamp, D.L., Babe, L.M. and Craik, C.S., Proc. Natl. Acad. Sci. USA, 87 (1990) 6644.
Wlodawer, A.M., Miller, M., Jaskolski, M., Sathyanarayana, B.K., Baldwin, E., Weber, I.T., Selk, L.M., Clawson, L., Schneider, J. and Kent, S.B.H., Science, 245 (1989) 616.
Moon, J.B. and Howe, W.J., Protein Struct. Funct. Genet., 11 (1991) 314.
Goodsell, D.S. and Olson, A.J., Protein Struct. Funct. Genet., 8 (1990) 195.
Morris, G.M., personal communication. The latest version of AUTODOCK, written in C, has a command-line interface that allows the program to be invoked as an ‘energy server’. This allows alternative sampling procedures to be used, such as genetic algorithms (GA) and evolutionary programming (EP) methods.
Von Itzstein, M., Wu, W.-Y., Kok, G.B., Pegg, M.S., Dyason, J.C., Jin, B., Van Phan, T., Smythe, M.L., White, H.F., Oliver, S.W., Colman, P.M., Varghese, J.N., Ryan, D.M., Woods, J.M., Bethell, R.C., Hotham, V.J., Cameron, J.M. and Penn, C.R., Nature, 363 (1993) 418.
Carson, M., J. Appl. Crystallogr., 24 (1991) 958.
Shah, A., personal communication. Shah has developed a filter module to read the output of Carson's RIBBONS program into AVS.
Kraulis, P.J., J. Appl. Crystallogr., 24 (1991) 946.
Goodsell, D.S. and Olson, A.J., J. Mol. Graphics, 10 (1992) 235.
Goodsell, D.S. and Olson, A.J., Pixel, 2 (1991) 36.
Hilmer, R.M., J. Mol. Graphics, 7 (1989) 212.
Larsen, T.L., ACM SIGGRAPH Video Rev., 91 (1993) 14.
Larsen, T.L., Computer Graphics Visual Proceedings, Annual Conference Series, ACM SIGGRAPH, Addison-Wesley, Reading, MA, 1993, p. 94.
Freedman, D., Science, 261 (1993) 844.
Brooks Jr., J.P., Ouh-Young, M., Batter, J.J. and Kilpatrick, P.J., Comput. Graphics, 24 (1990) 177.
