Further development of a genetic algorithm for ligand docking and its application to screening combinatorial libraries

ACS Symposium Series

Volumn 719, Issue , 1999, Pages 271-291

  Jones, Gareth ^a,e   Willett, Peter ^a   Glen, Robert C ^b   Leach, Andrew R ^c   Taylor, Robin ^d  

^a UNIVERSITY OF SHEFFIELD   (United Kingdom)

^b TRIPOS INC   (United States)

^c GLAXOSMITHKLINE   (United Kingdom)

^d CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTRE   (United Kingdom)

^e ARENA PHARMACEUTICALS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0040196029     PISSN: 00976156     EISSN: None     Source Type: Book Series    
DOI: 10.1021/bk-1999-0719.ch018     Document Type: Article

References (35)

1. Blaney, J. M.; Dixon J. S. Perspect. Drug Discov. Res. 1995, 1, 301.
2. Jones, G; Willett, P. Curr. Opin. Biotechnology, 1995, 6, 652.
3. Miller, M. D.; Kearsley, S. K.; Underwood, D. J.; Sheridan, R. P. J. Comput.-Aided Mol. Design 1994, 8, 153.
4. Rarey, M.; Kramer, B.; Lengauer, T. J. Comput.-Aided Mol. Design 1997, 11, 369.
5. Goodsell, D. S.; Olson A. J. Proteins: Struct. Func. Genet. 1990, 8, 195.
6. Jones, G.; Willett, P.; Glen, R. C. J. Mol. Biol. 1995, 254, 43.
7. Judson, R. S.; Jaeger, E. P.; Treasurywala, A. M. J. Mol. Struct. 1994, 308, 191.
8. Gehlhaar, D. K.; Verkhivker, G. M.; Rejto, P. A.; Sherman C. J.; Fogel, D. B.; Fogel, L. J.; Freer, S. T. Chem. Biol. 1995, 2, 317.
9. Davis, L. D. Handbook of Genetic Algorithms; Van Nostrand Reinhold: New York, 1991.
10. Holland, J. H.; Adaptation in Natural and Artificial Systems; MIT Press: Cambridge, MA, 1992.
11. Goldberg, D. E. Genetic Algorithms in Search Optimization and Machine Learning; Addison-Wesley: Reading, MA, 1989.
12. Clark, D E.; Westhead, D. R. J. Comput.-Aided Mol. Design 1996, 10, 337.
13. Jones, G.; Willett, P.; Glen, R. C.; Leach A. R.; Taylor R. J. Mol. Biol. 1997, 267, 727.
14. Bernstein, F. C.; Koetzle, T. F.; Williams, G. J. B.; Meyer, F.; Bryce, M. D.; Rogers, M. D.; Rogers, J. R.; Kennard, O.; Shikanouchi, T.; Tusumi, M. J. Mol. Biol. 1977, 112, 535.
15. Hasel, W.; Hendrickson, T. F.; Still, W. C. Tetrahedron Comput. Methodol. 1988, 1, 103.
16. Allen F. H.; Davis, J. E.; Galloy, J. J.; Johnson, O.; Kennard, O.; Macrae, C. F.; Mitchell, E. M., Mitchell, G. F., Smith, J. M.; Watson, D. G. J. Chem. Inform. Cumput. Sci. 1991, 31, 187.
17. Klebe, G.; Meitzner, T. J. Comput.-Aided Mol. Design 1994, 8, 583.
18. Jedrzejas, M. J.; Singh, S.; Brouilette, W. J.; Laver, W. G.; Air, G. M.; Lou, M. Biochemistry 1995, 34, 3144.
19. Bossart-Whitaker, P.; Carson, M.; Babu, Y. S.; Smith C. D.; Laver, W. G.; Air, G. M. J. Mol. Biol. 1993, 232, 1069.
20. Smith, P. W.; Sollis, S. L.; Howes, P. D.; Cherry, P. C.; Cobley, K. N.; Taylor, H; Whittington, A. R.; Scicinski, J.; Bethell, R. C.; Taylor, N.; Skarzynsk, T.; Cleasby, A.; Singh, O.; Wonacott, A.; Varghese, J.; Colman, P. Bioorg. Med Chem. Lett. 1996, 6, 2931.
21. Sollis, S. L.; Smith, P. W.; Howes, P. D.; Cherry, P. C.; Bethell, R. C. Bioorg. Med Chem. Lett. 1996, 6, 1805.
22. Varghes J. N.; McKimm-Breschkin, J.; Caldwell, J. B.; Kortt, A. A.; Colman, P. M. Proteins: Struct. Func. Genet. 1992, 14, 327.
23. White, C. L.; Janakiraman, M. N.; Laver, W. G.; Philippon, C.; Vasella, A.; Air, G. M.; Lou, M. J. Mol. Biol. 1995, 245, 623.
24. Williams, M.; Bischofberger, N.; Swaminathan, S.; Kim, C. U. Bioorg. Med. Chem. Lett. 1995, 5, 2251.
25. Stewart, K. D.; Bentley J. A.; Corey, M. Tetrahedron Comput. Methodol. 1990, 3, 713.
26. Tulinsky, A.; Blevins, R. A. J. Biol Chem. 1987, 262, 7737.
27. Ajay; Murcko, M. A. J. Med. Chem. 1995, 38, 4953.
28. Gallop, M. A.; Barrett, R. W.; Dower, W. J.; Fodor, S. P. A.; Gordon, E. M. J. Med. Chem. 1994, 37, 1385.
29. Bolin, J. T.; Filman, D. J.; Matthews, D. A.; Hamlin, R. C.; Kraut, J. J. Biol. Chem. 1982, 257, 13650.
30. Hajduk, P. J.; Dinges, J.; Miknis, G. F.; Merlock, M.; Middleton, T.; Kempf, D. J.; Egan, D. A.; Walter, K. A.; Robins, T. S.; Shuker, S. B.; Holzman, T. F.; Fesik, S. W. J. Med. Chem. 1997, 40, 3144.
31. DesJarlais, R. L.; Sheridan, R. P.; Dixon, J. S.; Kuntz, I. D.; Venkatarghavan, R. J. Med. Chem. 1986, 29, 2149.
32. Available Chemicals Directory; MDL Information Systems Inc.: San Leandro CA 94577, USA.
33. SYBYL version 6.3; Tripos Inc.: St Louis, MO 63144, USA.
34. Perlman, R. S. Chem Des. Automat. News 1987, 2, 1.
35. Grochulsky, P.; Li, Y.; Schrag, J. D.; Bouthillier, F.; Smith, P.; Harisson, D.; Rubin, M.; Cygler, M. J. Biol Chem. 1993, 268, 12843.