References

1. Welch, W., Ruppert, J. and Jain, A.N., Chem. Biol., 3 (1996) 449.

2. Rarey, M., Wefing, S. and Lengauer, T., J. Comput.-Aided Mol. Design, 10 (1996) 41.

3. Rarey, M., Kramer, B., Lengauer, T. and Klebe, G., J. Mol. Biol., 261 (1996) 470.

5. Schnecke, V., Swanson, C.A., Getzoff, E.D., Tainer, J.A. and Kuhn, L.A., Proteins Struct. Funct. Genet., 33 (1998) 74.

6. Betts. M.J. and Stemberg, J.E., Protein Eng., 12 (1999) 271.

7. Schnecke, V. and Kuhn, L., Proteins Struct. Funct. Genet., 2000 (manuscript submitted).

8. Raymer, M.L., Sanschagrin, P.C., Punch, W.F., Venkataraman, S., Goodman, E.D. and Kuhn, L.A., J. Mol. Biol., 265 (1997) 445.

9. Kuntz, I.D., Blaney, J.M., Oatley, S.J., Langridge, R. and Ferrin, T.E., J. Mol. Biol., 161 (1982) 269.

10. Meng, E.C., Shoichet, B.K. and Kuntz, I.D., J. Comput. Chem., 13 (1992) 505.

11. Shoichet, B.K. and Kuntz, I.D., Protein Eng., 6 (1993) 723.

12. Böhm, H.-J., J. Comput.-Aided Mol. Design, 6 (1992) 61.

13. Böhm, H.-J., J. Comput.-Aided Mol. Design, 6 (1992) 593.

14. Böhm, H.-J., J. Comput.-Aided Mol. Design, 10 (1996) 265.

15. Rarey, M., Kramer, B. and Lengauer, T., J. Comput.-Aided Mol. Design, 11 (1997) 369.

16. Jones, G., Willett, P. and Glen, R.C., J. Mol. Biol., 245 (1995) 43.

17. Jones, G., Willett, P., Glen, R.C., Leach, A.R. and Taylor, R., J. Mol. Biol., 267 (1997) 727.

18. Morris, G.M., Goodsell, D.S., Huey, R. and Olson, A.J., J. Comput.-Aided Mol. Design, 10 (1996) 293.

19. Moms, G.M., Goodsell, D.S., Halliday, R.S., Huey, R.S., Hart, W.E., Belew, R.K. and Olson, A.J., J. Comput. Chem., 19(14) (1998) 1639.

20. Kuntz, I.D., Meng, E.C. and Shoichet, B.K., Acc. Chem. Res., 27 (1994) 117.

21. Fischer, D., Lin, S. L., Wolfson, H. L. and Nussinov, R., J. Mol. Biol., 248 (1995) 459.

22. Ruppert, J., Welch, W. and Jain, A.N., Protein Sci., 6 (1997) 524.

23. Oshiro, C.M., Kuntz, I.D. and Scott Dixon, J., J. Comput.-Aided Mol. Design, 9 (1995) 113.

24. Eisen, M.B., Wiley, D.C., Karplus, M. and Hubbard, R.E., Proteins Struct. Funct. Genet., 19 (1994) 199.

25. Shoichet, B.K., Stroud, R.M., Santi, D.V., Kuntz, I.D. and Perry, K.M., Science, 259 (1993) 1445.

26. Böhm, H.-J., J. Comput.-Aided Mol. Design, 8 (1994) 623.

27. Gschwend, D.A., Sirawaraporn, W., Santi, D.V. and Kuntz, I.D., Proteins Struct. Funct. Genet., 29 (1997) 59.

28. Lorber, D.M. and Shoichet, B.K., Protein Sci., 7 (1998) 938.

29. Shoichet, B.K., Leach, A.R. and Kuntz, I.D., Proteins Struct. Funct. Genet., 34 (1999) 4.

30. Makino, S., Ewing, T.J.A. and Kuntz, I.D., J. Comput.-Aided Mol. Design, 13 (1999) 513.

32. Jackson, R.M., Gabb, H.A. and Sternberg, M.J.E., J. Mol. Biol., 276 (1998) 265.

33. Totrov, M. and Abagyan, R., Proteins Struct. Funct. Genet., Supplement 1 (1997) 215.

34. Sandak, B., Wolfson, H.J. and Nussinov, R., Proteins Struct. Funct. Genet., 32 (1998) 159.

35. Knegtel, R.M.A., Kuntz, I.D. and Oshiro, C.M., J. Mol. Biol., 266 (1997) 424.

36. Wassserman, Z.R. and Hodge, C.N., Proteins Struct. Funct. Genet., 24 (1996) 227.

37. Apostolakis, J., Plückthun, A. and Caflisch, A,, J. Comput. Chem., 19 (1998) 21.

38. Mangoni, M., Roccatano, D. and Di Nola, A., Proteins Struct. Funct. Genet., 35 (1999) 153.

39. Poornima, C.S. and Dean, P.M., J. Comput.-Aided Mol. Design, 9 (1995) 500.

40. Poornima, C.S. and Dean, P.M., J. Comput.-Aided Mol. Design, 9 (1995) 513.

42. Sanschagrin, P.C. and Kuhn, L.A., Protein Sci., 7 (1998) 2054.

43. Rarey, M., Kramer, B. and Lengauer, T., Proteins Struct. Funct. Genet., 34 (1999) 17.

44. Lawrence, M.C. and Davis, P.C., Proteins Struct. Funct. Genet., 12 (1992) 31.

45. Toyoda, T., Brobey, R.K.B., Sano, G., Horii, T., Tomioka, N. and Itai, A., Biochem. Biophys. Res. Commun., 235 (1997) 515.

47. Burkhard, P., Taylor, P. and Walkinshaw, M.D., J. Mol. Biol., 277 (1998) 449.

48. Schnecke, V. and Kuhn, L.A., In Procs. ISMB 99, 7th Int. Conf. on Intelligent Systems for Molecular Biology, AAAI Press, Menlo Park, CA, 1999, pp. 242-251.

49. Kuhn, L.A., Swanson, C.A., Pique, M.E., Tainer, J.A. and Getzoff, E.D., Proteins Struct. Funct. Genet., 23 (1995) 536.

50. Duda, R.O. and Hart, P.E., Pattern Classification and Scene Analysis, John Wiley & Sons, New York, NY, 1973.

51. Eldridge, M.D., Murray, C.W., Auton, T.R., Paolini, G.V. and Mee, R.P., J. Comput.-Aided Mol. Design, 11 (1997) 425.

52. Koehl, P. and Delarue, M., J. Mol. Biol., 239 (1994) 249.

53. Koehl, P. and Delarue, M., Curr. Opin. Struct. Biol., 6 (1996) 222.

54. Sadowski, J., Gasteiger, J. and Klebe, G., J. Chern. Inf. Comput. Sci., 34 (1994) 1000.

55. Mol, C.D., Arvai, AS., Slupphaug, G., Kavli, B., Alseth, I., Krokan, H.E. and Tainer, J.A., Cell, 80 (1995) 869.

56. Parikh, S.S., Mol, C.D., Slupphaug, G., Bharati, S., Krokan, H.E. and Tainer, J.A., EMBO J., 17 (1998) 5214.

57. Mol, C.D., Arvai, AS., Sanderson, R.J., Slupphaug, G., Kavli, B., Krokan, H.E., Mosbaugh, D.W. and Tainer, J.A., Cell, 82 (1995) 701.

58. Heringa, J. and Argos, P., Proteins Struct. Funct. Genet., 37 (1999) 44.

59. Knegtel, R.M.A., Bayada, D.M., Engh, R.A., von der Saal, W., van Geerestein, V.J. and Grootenhuis, P.D.J., J. Comput.-Aided Mol. Design, 13 (1999) 167.

60. Böhrn, H.-J., J. Comput.-Aided Mol. Design, 8 (1994) 243.

61. Böhm, H.-J., J. Comput.-Aided Mol. Design, 12 (1998) 309.

62. Jain, A.N., J. Comput.-Aided Mol. Design, 10 (1996) 427.

63. Head, R.D., Smythe, M.L., Opera, T.I., Waller, C.L., Green, S.M. and Marshall, G.R., J. Am. Chem. Soc., 118 (1996) 3959.

64. Murray, C.W., Auton, T.R. and Eldridge, M.D., J. Cornput.-Aided Mol. Design, 12 (1998) 503.

65. Mugge, I. and Martin, Y.C., J. Med. Chem., 42(5) (1999) 791.

66. Cody, V., Sutton, P.A. and Welsh, W.J., J. Am. Chem. Soc., 109 (1987) 4053.

Perspectives in Drug Discovery and Design, 20: 191-207, 2000. KLUWER/ESCOM

© 2000 KluwerAcademic Publishers. Printed in the Netherlands.

0 0

Post a comment