-
1
-
-
0027530108
-
-
Cherfils, J. and Janin, J., Curr. Opin. Struct. Biol., 1993, 3, 265-269.
-
(1993)
Curr. Opin. Struct. Biol.
, vol.3
, pp. 265-269
-
-
Cherfils, J.1
Janin, J.2
-
2
-
-
0001016942
-
-
Kuntz, I. D., Meng, E. C. and Shoichet, B. K., Acc. Chem. Res., 1994, 27, 117-123.
-
(1994)
Acc. Chem. Res.
, vol.27
, pp. 117-123
-
-
Kuntz, I.D.1
Meng, E.C.2
Shoichet, B.K.3
-
3
-
-
0028036120
-
-
Bohacek, R. S. and McMartin, C., J. Am. Chem. Soc., 1994, 116, 5560-5571.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 5560-5571
-
-
Bohacek, R.S.1
McMartin, C.2
-
5
-
-
0031003647
-
-
DeWitte, R. S., Ishchenko, A. V. and Shakhnovich, E. I., J. Am. Chem. Soc., 1997, 119, 4608-4617.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 4608-4617
-
-
DeWitte, R.S.1
Ishchenko, A.V.2
Shakhnovich, E.I.3
-
7
-
-
0028882706
-
-
Jones, G. and Willett, P., Curr. Opin. Biotechnol., 1995, 6, 652-656.
-
(1995)
Curr. Opin. Biotechnol.
, vol.6
, pp. 652-656
-
-
Jones, G.1
Willett, P.2
-
8
-
-
0029902763
-
-
Lengauer, T. and Rarey, M., Curr. Opin. Struct. Biol., 1996, 6, 402-406.
-
(1996)
Curr. Opin. Struct. Biol.
, vol.6
, pp. 402-406
-
-
Lengauer, T.1
Rarey, M.2
-
10
-
-
0029935202
-
-
Peters, K. P., Fauck, J. and Frommel, C., J. Mol. Biol., 1996, 256, 201-213.
-
(1996)
J. Mol. Biol.
, vol.256
, pp. 201-213
-
-
Peters, K.P.1
Fauck, J.2
Frommel, C.3
-
11
-
-
0342424187
-
-
Brady, G. P. Jr. and Stouten, P. F., J. Comput.-Aided Mol. Des., 2000, 14, 383-401.
-
(2000)
J. Comput.-Aided Mol. Des.
, vol.14
, pp. 383-401
-
-
Brady G.P., Jr.1
Stouten, P.F.2
-
12
-
-
0031135364
-
-
Westhead, D. R., Clark, D. E. and Murray, C. W., ibid, 1997, 11, 209-228.
-
(1997)
J. Comput.-Aided Mol. Des.
, vol.11
, pp. 209-228
-
-
Westhead, D.R.1
Clark, D.E.2
Murray, C.W.3
-
13
-
-
0020491251
-
-
Kuntz, I. D., Blaney, J. M., Oatley, S. J., Langridge, R. L. and Ferrin, T. E., J. Mol. Biol., 1982, 161, 269-288.
-
(1982)
J. Mol. Biol.
, vol.161
, pp. 269-288
-
-
Kuntz, I.D.1
Blaney, J.M.2
Oatley, S.J.3
Langridge, R.L.4
Ferrin, T.E.5
-
14
-
-
0029937340
-
-
Sobolev, V., Wade, R. C., Vriend, G. and Edelman, M., Proteins, 1996, 25, 120-129.
-
(1996)
Proteins
, vol.25
, pp. 120-129
-
-
Sobolev, V.1
Wade, R.C.2
Vriend, G.3
Edelman, M.4
-
15
-
-
0031565730
-
-
Gabb, H. A., Jackson, R. M. and Sternberg, M. J., J. Mol. Biol., 1997, 272, 106-120.
-
(1997)
J. Mol. Biol.
, vol.272
, pp. 106-120
-
-
Gabb, H.A.1
Jackson, R.M.2
Sternberg, M.J.3
-
16
-
-
0033980458
-
-
Goldman, B. B. and Wipke, W. T., Proteins, 2000, 38, 79-94.
-
(2000)
Proteins
, vol.38
, pp. 79-94
-
-
Goldman, B.B.1
Wipke, W.T.2
-
17
-
-
0000423794
-
-
Kirkpatrick, S., Gelatt, C. D. and Vecchi, M. P., Science, 1983, 220, 621-680.
-
(1983)
Science
, vol.220
, pp. 621-680
-
-
Kirkpatrick, S.1
Gelatt, C.D.2
Vecchi, M.P.3
-
18
-
-
0002833057
-
-
Apostolakis, J., Pluckthun, A. and Caflisch, A., J. Comput. Chem., 1998, 19, 21-37.
-
(1998)
J. Comput. Chem.
, vol.19
, pp. 21-37
-
-
Apostolakis, J.1
Pluckthun, A.2
Caflisch, A.3
-
19
-
-
0001246354
-
-
Caflisch, A., Fischer, S. and Karplus, M., ibid, 1997, 18, 723-743.
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 723-743
-
-
Caflisch, A.1
Fischer, S.2
Karplus, M.3
-
20
-
-
0028943182
-
-
Cummings, M. D., Hart, T. N. and Read, R. J., Protein Sci., 1995, 4, 885-899.
-
(1995)
Protein Sci.
, vol.4
, pp. 885-899
-
-
Cummings, M.D.1
Hart, T.N.2
Read, R.J.3
-
21
-
-
0032855301
-
-
Liu, M. and Wang, S. M., J. Comput.-Aided Mol. Des., 1999, 13, 435-451.
-
(1999)
J. Comput.-Aided Mol. Des.
, vol.13
, pp. 435-451
-
-
Liu, M.1
Wang, S.M.2
-
22
-
-
0032493375
-
-
Trosset, J. Y. and Scheraga, H. A., Proc. Natl. Acad. Sci. USA, 1998, 95, 8011-8015.
-
(1998)
Proc. Natl. Acad. Sci. USA
, vol.95
, pp. 8011-8015
-
-
Trosset, J.Y.1
Scheraga, H.A.2
-
23
-
-
0001336998
-
-
Trosset, J. Y. and Scheraga, H. A., J. Comput. Chem., 1999, 20, 244-252.
-
(1999)
J. Comput. Chem.
, vol.20
, pp. 244-252
-
-
Trosset, J.Y.1
Scheraga, H.A.2
-
24
-
-
0031302358
-
-
Totrov, M. and Abagyan, R., Proteins, 1997, S1, 215-220.
-
(1997)
Proteins
, vol.S1
, pp. 215-220
-
-
Totrov, M.1
Abagyan, R.2
-
25
-
-
0025135112
-
-
Goodsell, D. S. and Olson, A. J., ibid, 1990, 8, 195-202.
-
(1990)
Proteins
, vol.8
, pp. 195-202
-
-
Goodsell, D.S.1
Olson, A.J.2
-
26
-
-
0001386835
-
-
Diller, D. J. and Verlinde, C., J. Comput. Chem., 1999, 20, 1740-1751.
-
(1999)
J. Comput. Chem.
, vol.20
, pp. 1740-1751
-
-
Diller, D.J.1
Verlinde, C.2
-
29
-
-
0028854034
-
-
Jones, G., Willett, P. and Glen, R. C., J. Mol. Biol., 1995, 245, 43-53.
-
(1995)
J. Mol. Biol.
, vol.245
, pp. 43-53
-
-
Jones, G.1
Willett, P.2
Glen, R.C.3
-
30
-
-
0031552362
-
-
Jones, G., Willett, P., Glen, R. C., Leach, A. R. and Taylor, R., ibid, 1997, 267, 727-748.
-
(1997)
J. Mol. Biol.
, vol.267
, pp. 727-748
-
-
Jones, G.1
Willett, P.2
Glen, R.C.3
Leach, A.R.4
Taylor, R.5
-
31
-
-
11644261806
-
-
Morris, G. M., Goodsell, D. S., Halliday, R. S., Huey, R., Hart, W. E., Belew, R. K. and Olson, A. J., J. Comput. Chem., 1998, 19, 1639-1662.
-
(1998)
J. Comput. Chem.
, vol.19
, pp. 1639-1662
-
-
Morris, G.M.1
Goodsell, D.S.2
Halliday, R.S.3
Huey, R.4
Hart, W.E.5
Belew, R.K.6
Olson, A.J.7
-
32
-
-
0034332970
-
-
Taylor, J. S. and Burnett, R. M., Proteins, 2000, 41, 173-191.
-
(2000)
Proteins
, vol.41
, pp. 173-191
-
-
Taylor, J.S.1
Burnett, R.M.2
-
33
-
-
43949148576
-
-
Judson, R. S., Jaeger, E. P. and Treasurywala, A. M., Theochem.-J. Mol. Struct., 1994, 114, 191-206.
-
(1994)
Theochem.-J. Mol. Struct.
, vol.114
, pp. 191-206
-
-
Judson, R.S.1
Jaeger, E.P.2
Treasurywala, A.M.3
-
34
-
-
0029283717
-
-
Oshiro, C. M., Kuntz, I. D. and Dixon, J. S., J. Comput.-Aided Mol. Des., 1995, 9, 113-130.
-
(1995)
J. Comput.-Aided Mol. Des.
, vol.9
, pp. 113-130
-
-
Oshiro, C.M.1
Kuntz, I.D.2
Dixon, J.S.3
-
37
-
-
0030203970
-
-
Clark, D. E. and Westhead, D. R., J. Comput.-Aided Mol. Des., 1996, 10, 337-358.
-
(1996)
J. Comput.-Aided Mol. Des.
, vol.10
, pp. 337-358
-
-
Clark, D.E.1
Westhead, D.R.2
-
38
-
-
0042769997
-
-
eds Fogel, L. J., Angeline, P. J., Back, T., MIT Press
-
Yao, X. and Liu, Y., Proceedings of the Fifth Annual Conference on Evolutionary Programming (eds Fogel, L. J., Angeline, P. J., Back, T.), MIT Press, 1996.
-
(1996)
Proceedings of the Fifth Annual Conference on Evolutionary Programming
-
-
Yao, X.1
Liu, Y.2
-
39
-
-
0029294584
-
-
Gehlhaar, D. K., Verkhivker, G. M., Rejto, P. A., Sherman, C. J., Fogel, D. B., Fogel, L. J. and Freer, S. T., Chem. Biol., 1995, 2, 317-324.
-
(1995)
Chem. Biol.
, vol.2
, pp. 317-324
-
-
Gehlhaar, D.K.1
Verkhivker, G.M.2
Rejto, P.A.3
Sherman, C.J.4
Fogel, D.B.5
Fogel, L.J.6
Freer, S.T.7
-
40
-
-
0000873042
-
-
Yang, J. M. and Kao, C. Y., J. Comput. Chem., 2000, 21, 988-998.
-
(2000)
J. Comput. Chem.
, vol.21
, pp. 988-998
-
-
Yang, J.M.1
Kao, C.Y.2
-
41
-
-
0002654456
-
-
ed. Reeves, C. R., Blackwell, Oxford
-
Glover, F. and Laguna, M., in Modern Heuristic Techniques for Combinatorial Problems (ed. Reeves, C. R.), Blackwell, Oxford, 1993, pp. 70-150.
-
(1993)
Modern Heuristic Techniques for Combinatorial Problems
, pp. 70-150
-
-
Glover, F.1
Laguna, M.2
-
42
-
-
0000390120
-
-
Cvijovic, D. and Klinowski, J., Science, 1995, 267, 664-666.
-
(1995)
Science
, vol.267
, pp. 664-666
-
-
Cvijovic, D.1
Klinowski, J.2
-
44
-
-
0032533791
-
-
Baxter, C. A., Murray, C. W., Clark, D. E., Westhead, D. R. and Eldridge, M. D., Proteins, 1998, 33, 367-382.
-
(1998)
Proteins
, vol.33
, pp. 367-382
-
-
Baxter, C.A.1
Murray, C.W.2
Clark, D.E.3
Westhead, D.R.4
Eldridge, M.D.5
-
45
-
-
0032885355
-
-
Hou, T., Wang, J., Chen, L. and Xu, X., Protein Eng., 1999, 12, 639-648.
-
(1999)
Protein Eng.
, vol.12
, pp. 639-648
-
-
Hou, T.1
Wang, J.2
Chen, L.3
Xu, X.4
-
46
-
-
0032738842
-
-
Kramer, B., Rarey, M. and Lengauer, T., Proteins, 1999, 37, 228-241.
-
(1999)
Proteins
, vol.37
, pp. 228-241
-
-
Kramer, B.1
Rarey, M.2
Lengauer, T.3
-
47
-
-
0030154893
-
-
Welch, W., Ruppert, J. and Jain, A. N., Chem. Biol., 1996, 3, 449-462.
-
(1996)
Chem. Biol.
, vol.3
, pp. 449-462
-
-
Welch, W.1
Ruppert, J.2
Jain, A.N.3
-
48
-
-
0028282687
-
-
Eisen, M. B., Wiley, D. C., Karplus, M. and Hubbard, R. E., Proteins, 1994, 19, 199-221.
-
(1994)
Proteins
, vol.19
, pp. 199-221
-
-
Eisen, M.B.1
Wiley, D.C.2
Karplus, M.3
Hubbard, R.E.4
-
49
-
-
6244283606
-
-
Ewing, T. J. A. and Kuntz, I. D., J. Comput. Chem., 1997, 18, 1175-1189.
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 1175-1189
-
-
Ewing, T.J.A.1
Kuntz, I.D.2
-
51
-
-
0031197206
-
-
Bohacek, R. S. and McMartin, C., Curr. Opin. Chem. Biol., 1997, 1, 157-161.
-
(1997)
Curr. Opin. Chem. Biol.
, vol.1
, pp. 157-161
-
-
Bohacek, R.S.1
McMartin, C.2
-
52
-
-
0023456962
-
-
Brint, A. T. and Willett, P., J. Chem. Inf. Comput. Sci., 1987, 27, 152-158.
-
(1987)
J. Chem. Inf. Comput. Sci.
, vol.27
, pp. 152-158
-
-
Brint, A.T.1
Willett, P.2
-
53
-
-
0027168214
-
-
Fischer, D., Norel, R., Wolfson, H. and Nussinov, R., Proteins, 1993, 16, 278-292.
-
(1993)
Proteins
, vol.16
, pp. 278-292
-
-
Fischer, D.1
Norel, R.2
Wolfson, H.3
Nussinov, R.4
-
54
-
-
0028079323
-
-
Norel, R., Fischer, D., Wolfson, H. J. and Nussinov, R., Protein Eng., 1994, 7, 39-46.
-
(1994)
Protein Eng.
, vol.7
, pp. 39-46
-
-
Norel, R.1
Fischer, D.2
Wolfson, H.J.3
Nussinov, R.4
-
55
-
-
0032706309
-
-
Nussinov, R. and Wolfson, H. J., Comb. Chem. High Throughput Screen, 1999, 2, 249-259.
-
(1999)
Comb. Chem. High Throughput Screen
, vol.2
, pp. 249-259
-
-
Nussinov, R.1
Wolfson, H.J.2
-
56
-
-
0028412035
-
-
Miller, M. D., Kearsley, S. K., Underwood, D. J. and Sheridan, R. P., J. Comput.-Aided Mol. Des., 1994, 8, 153-174.
-
(1994)
J. Comput.-Aided Mol. Des.
, vol.8
, pp. 153-174
-
-
Miller, M.D.1
Kearsley, S.K.2
Underwood, D.J.3
Sheridan, R.P.4
-
57
-
-
0000308971
-
-
Gardiner, E. J., Willett, P. and Artymiuk, P. J., J. Chem. Inf. Comput. Sci., 2000, 40, 273-279.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 273-279
-
-
Gardiner, E.J.1
Willett, P.2
Artymiuk, P.J.3
-
58
-
-
0028940058
-
-
Sandak, B., Nussinov, R. and Wolfson, H. J., Comput. Appl. Biosci., 1995, 11, 87-99.
-
(1995)
Comput. Appl. Biosci.
, vol.11
, pp. 87-99
-
-
Sandak, B.1
Nussinov, R.2
Wolfson, H.J.3
-
59
-
-
0025785057
-
-
Shoichet, B. K. and Kuntz, I. D., J. Mol. Biol., 1991, 221, 327-346.
-
(1991)
J. Mol. Biol.
, vol.221
, pp. 327-346
-
-
Shoichet, B.K.1
Kuntz, I.D.2
-
61
-
-
7044239742
-
-
Kollman, P., Chem. Rev., 1993, 93, 2395-2417.
-
(1993)
Chem. Rev.
, vol.93
, pp. 2395-2417
-
-
Kollman, P.1
-
62
-
-
0030221199
-
-
Briggs, J. M., Marrone, T. J. and McCammon, J. A., Trends Cardiovasc. Med., 1996, 6, 198-204.
-
(1996)
Trends Cardiovasc. Med.
, vol.6
, pp. 198-204
-
-
Briggs, J.M.1
Marrone, T.J.2
McCammon, J.A.3
-
63
-
-
0033545622
-
-
Muegge, I. and Martin, Y. C., J. Med. Chem., 1999, 42, 791-804.
-
(1999)
J. Med. Chem.
, vol.42
, pp. 791-804
-
-
Muegge, I.1
Martin, Y.C.2
-
66
-
-
84986512474
-
-
Brooks, B. R., Bruccoleri, R. E., Olafson, B. D., States, D. J., Swaminathan, S. and Karplus, M., J. Comput. Chem., 1983, 4, 187-217.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
71
-
-
0343213055
-
-
Hobza, P., Kabelac, M., Sponer, J., Mejzlik, P. and Vondrasek, J., J. Comput. Chem., 1997, 18, 1136-1150.
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 1136-1150
-
-
Hobza, P.1
Kabelac, M.2
Sponer, J.3
Mejzlik, P.4
Vondrasek, J.5
-
72
-
-
0026690571
-
-
Jones, D. T., Taylor, W. R. and Thornton, J. M., Nature, 1992, 358, 86-89.
-
(1992)
Nature
, vol.358
, pp. 86-89
-
-
Jones, D.T.1
Taylor, W.R.2
Thornton, J.M.3
-
73
-
-
0032613428
-
-
Domingues, F. S. et al., Proteins, 1999, S3, 112-120.
-
(1999)
Proteins
, vol.S3
, pp. 112-120
-
-
Domingues, F.S.1
-
76
-
-
0034645763
-
-
Gohlke, H., Hendlich, M. and Klebe, G., J. Mol. Biol., 2000, 295, 337-356.
-
(2000)
J. Mol. Biol.
, vol.295
, pp. 337-356
-
-
Gohlke, H.1
Hendlich, M.2
Klebe, G.3
-
79
-
-
0030968991
-
-
Vajda, S., Sippl, M. and Novotny, J., Curr. Opin. Struct. Biol., 1997, 7, 222-228.
-
(1997)
Curr. Opin. Struct. Biol.
, vol.7
, pp. 222-228
-
-
Vajda, S.1
Sippl, M.2
Novotny, J.3
-
80
-
-
0026319198
-
-
Cherfils, J., Duquerroy, S. and Janin, J., Proteins, 1991, 11, 271-280.
-
(1991)
Proteins
, vol.11
, pp. 271-280
-
-
Cherfils, J.1
Duquerroy, S.2
Janin, J.3
-
81
-
-
0027958638
-
-
Helmer-Citterich, M. and Tramontano, A., J. Mol. Biol., 1994, 235, 1021-1031.
-
(1994)
J. Mol. Biol.
, vol.235
, pp. 1021-1031
-
-
Helmer-Citterich, M.1
Tramontano, A.2
-
82
-
-
0029016182
-
-
Honig, B. and Nicholls, A., Science, 1995, 268, 1144-1149.
-
(1995)
Science
, vol.268
, pp. 1144-1149
-
-
Honig, B.1
Nicholls, A.2
-
83
-
-
0030855390
-
-
Ausiello, G., Cesareni, G. and HelmerCitterich, M., Proteins, 1997, 28, 556-567.
-
(1997)
Proteins
, vol.28
, pp. 556-567
-
-
Ausiello, G.1
Cesareni, G.2
HelmerCitterich, M.3
-
84
-
-
0034193510
-
-
Ritchie, D. W. and Kemp, G. J., ibid, 2000, 39, 178-194.
-
(2000)
Proteins
, vol.39
, pp. 178-194
-
-
Ritchie, D.W.1
Kemp, G.J.2
-
85
-
-
0028915315
-
-
Sobolev, V. and Edelman, M., ibid, 1995, 21, 214-225.
-
(1995)
Proteins
, vol.21
, pp. 214-225
-
-
Sobolev, V.1
Edelman, M.2
-
86
-
-
13044272912
-
-
Sobolev, V., Sorokine, A., Prilusky, J., Abola, E. E. and Edelman, M., Bioinformatics, 1999, 15, 327-332.
-
(1999)
Bioinformatics
, vol.15
, pp. 327-332
-
-
Sobolev, V.1
Sorokine, A.2
Prilusky, J.3
Abola, E.E.4
Edelman, M.5
-
87
-
-
0030627637
-
-
Dunbrack, R. L., Gerloff, D. L., Bower, M., Chen, X. W., Lichtarge, O. and Cohen, F. E., Fold. Des., 1997, 2, R27-R42.
-
(1997)
Fold. Des.
, vol.2
-
-
Dunbrack, R.L.1
Gerloff, D.L.2
Bower, M.3
Chen, X.W.4
Lichtarge, O.5
Cohen, F.E.6
-
88
-
-
0031307203
-
-
Dixon, J. S., Proteins, 1997, S1, 198-204.
-
(1997)
Proteins
, vol.S1
, pp. 198-204
-
-
Dixon, J.S.1
-
89
-
-
0031296899
-
-
Sobolev, V., Moallem, T. M., Wade, R. C., Vriend, G. and Edelman, M., ibid, 1997, 210-214.
-
(1997)
Proteins
, pp. 210-214
-
-
Sobolev, V.1
Moallem, T.M.2
Wade, R.C.3
Vriend, G.4
Edelman, M.5
-
90
-
-
0027385177
-
-
Shoichet, B. K. and Kuntz, I. D., Protein Eng., 1993, 6, 723-732.
-
(1993)
Protein Eng.
, vol.6
, pp. 723-732
-
-
Shoichet, B.K.1
Kuntz, I.D.2
-
91
-
-
84988053694
-
-
Weiner, S. J., Kollman, P. A., Nguyen, D. T. and Case, D. A., J. Comp. Chem., 1986, 7, 230-252.
-
(1986)
J. Comp. Chem.
, vol.7
, pp. 230-252
-
-
Weiner, S.J.1
Kollman, P.A.2
Nguyen, D.T.3
Case, D.A.4
-
93
-
-
0033168443
-
-
Wang, J., Kollman, P. A. and Kuntz, I. D., Proteins, 1999, 36, 1-19.
-
(1999)
Proteins
, vol.36
, pp. 1-19
-
-
Wang, J.1
Kollman, P.A.2
Kuntz, I.D.3
-
94
-
-
0030203710
-
-
Morris, G. M., Goodsell, D. S., Huey, R. and Olson, A. J., J. Comput.-Aided Mol. Des., 1996, 10, 293-304.
-
(1996)
J. Comput.-Aided Mol. Des.
, vol.10
, pp. 293-304
-
-
Morris, G.M.1
Goodsell, D.S.2
Huey, R.3
Olson, A.J.4
-
95
-
-
0030599010
-
-
Rarey, M., Kramer, B., Lengauer, T. and Klebe, G., J. Mol. Biol., 1996, 261, 470-489.
-
(1996)
J. Mol. Biol.
, vol.261
, pp. 470-489
-
-
Rarey, M.1
Kramer, B.2
Lengauer, T.3
Klebe, G.4
-
96
-
-
0022539429
-
-
Eisenberg, D., Wilcox, W. and McLachlan, A. D., J. Cell. Biochem., 1986, 31, 11-17.
-
(1986)
J. Cell. Biochem.
, vol.31
, pp. 11-17
-
-
Eisenberg, D.1
Wilcox, W.2
McLachlan, A.D.3
-
97
-
-
0022596727
-
-
Eisenberg, D. and McLachlan, A. D., Nature, 1986, 319, 199-203.
-
(1986)
Nature
, vol.319
, pp. 199-203
-
-
Eisenberg, D.1
McLachlan, A.D.2
-
98
-
-
0029995624
-
-
Head, R. D., Smythe, M. L., Oprea, T. I., Waller, C. L., Green, S. M. and Marshall, G. R., J. Am. Chem. Soc., 1996, 118, 3959-3969.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 3959-3969
-
-
Head, R.D.1
Smythe, M.L.2
Oprea, T.I.3
Waller, C.L.4
Green, S.M.5
Marshall, G.R.6
-
100
-
-
0032950520
-
-
Rarey, M., Kramer, B. and Lengauer, T., Bioinformatics, 1999, 15, 243-250.
-
(1999)
Bioinformatics
, vol.15
, pp. 243-250
-
-
Rarey, M.1
Kramer, B.2
Lengauer, T.3
-
101
-
-
0032698681
-
-
Hoffmann, D., Kramer, B., Washio, T., Steinmetzer, T., Rarey, M. and Lengauer, T., J. Med. Chem., 1999, 42, 4422-4433.
-
(1999)
J. Med. Chem.
, vol.42
, pp. 4422-4433
-
-
Hoffmann, D.1
Kramer, B.2
Washio, T.3
Steinmetzer, T.4
Rarey, M.5
Lengauer, T.6
-
102
-
-
0020475509
-
-
Warwicker, J. and Watson, H. C., J. Mol. Biol., 1982, 157, 671-679.
-
(1982)
J. Mol. Biol.
, vol.157
, pp. 671-679
-
-
Warwicker, J.1
Watson, H.C.2
-
103
-
-
0032961895
-
-
Rarey, M., Kramer, B. and Lengauer, T., Proteins, 1999, 34, 17-28.
-
(1999)
Proteins
, vol.34
, pp. 17-28
-
-
Rarey, M.1
Kramer, B.2
Lengauer, T.3
-
104
-
-
0033065220
-
-
Knegtel, R. M., Bayada, D. M., Engh, R. A., von der Saal, W., van Geerestein, V. J. and Grootenhuis, P. D., J. Comput.-Aided Mol. Des., 1999, 13, 167-183.
-
(1999)
J. Comput.-Aided Mol. Des.
, vol.13
, pp. 167-183
-
-
Knegtel, R.M.1
Bayada, D.M.2
Engh, R.A.3
Von Der Saal, W.4
Van Geerestein, V.J.5
Grootenhuis, P.D.6
-
107
-
-
0027804108
-
-
Stouten, P. F. W., Frommel, C., Nakamura, H. and Sander, C., Mol. Simul., 1993, 10, 97-120.
-
(1993)
Mol. Simul.
, vol.10
, pp. 97-120
-
-
Stouten, P.F.W.1
Frommel, C.2
Nakamura, H.3
Sander, C.4
-
108
-
-
0042769990
-
-
Quantum Chemical Program Exchange, Department of Chemistry, University of Indiana, Bloomington, IN
-
Cramer, C. J., Lynch, G. C., Hawkins, G. D. and Truhlar, D. G., AMSOL 3.5c User Manual, Quantum Chemical Program Exchange, Department of Chemistry, University of Indiana, Bloomington, IN, 1993.
-
(1993)
AMSOL 3.5c User Manual
-
-
Cramer, C.J.1
Lynch, G.C.2
Hawkins, G.D.3
Truhlar, D.G.4
-
109
-
-
84986483890
-
-
Rinaldi, D., Rivail, J. L. and Rguini, N., J. Comput. Chem., 1992, 13, 675-680.
-
(1992)
J. Comput. Chem.
, vol.13
, pp. 675-680
-
-
Rinaldi, D.1
Rivail, J.L.2
Rguini, N.3
-
110
-
-
84988115618
-
-
Clark, M., Cramer, R. D. and Vanopdenbosch, N., ibid, 1989, 10, 982-1012.
-
(1989)
J. Comput. Chem.
, vol.10
, pp. 982-1012
-
-
Clark, M.1
Cramer, R.D.2
Vanopdenbosch, N.3
-
111
-
-
0042769993
-
-
http://cisrg.shef.ac.uk/projects/gold/examples.html
-
-
-
-
112
-
-
0004161838
-
-
Cambridge University Press, Cambridge, 2nd edn.
-
Press, W. H., Teukolsky, S. A., Vetterling, W. T. and Flannery, B. P., in Numerical Recipes in Fortran: The Art of Scientific Computing, Cambridge University Press, Cambridge, 1992, 2nd edn. p. 402.
-
(1992)
Numerical Recipes in Fortran: The Art of Scientific Computing
, pp. 402
-
-
Press, W.H.1
Teukolsky, S.A.2
Vetterling, W.T.3
Flannery, B.P.4
-
113
-
-
0031226772
-
-
Eldridge, M. D., Murray, C. W., Auton, T. R., Paolini, G. V. and Mee, R. P., J. Comput.-Aided Mol. Des., 1997, 11, 425-445.
-
(1997)
J. Comput.-Aided Mol. Des.
, vol.11
, pp. 425-445
-
-
Eldridge, M.D.1
Murray, C.W.2
Auton, T.R.3
Paolini, G.V.4
Mee, R.P.5
-
114
-
-
0026080846
-
-
Wireko, F. C., Kellogg, G. E. and Abraham, D. J., J. Med. Chem., 1991, 34, 758-767.
-
(1991)
J. Med. Chem.
, vol.34
, pp. 758-767
-
-
Wireko, F.C.1
Kellogg, G.E.2
Abraham, D.J.3
-
115
-
-
0026292147
-
-
Kellogg, G. E., Semus, S. F. and Abraham, D. J., J. Comput.-Aided Mol. Des., 1991, 5, 545-552.
-
(1991)
J. Comput.-Aided Mol. Des.
, vol.5
, pp. 545-552
-
-
Kellogg, G.E.1
Semus, S.F.2
Abraham, D.J.3
-
116
-
-
0030342727
-
-
Sippl, M. J., Ortner, M., Jaritz, M., Lackner, P. and Flockner, H., Fold. Des., 1996, 1, 289-298.
-
(1996)
Fold. Des.
, vol.1
, pp. 289-298
-
-
Sippl, M.J.1
Ortner, M.2
Jaritz, M.3
Lackner, P.4
Flockner, H.5
-
118
-
-
0000823044
-
-
Mitchell, J. B. O., Laskowski, R. A., Alex, A. and Thornton, J. M., J. Comput. Chem., 1999, 20, 1165-1176.
-
(1999)
J. Comput. Chem.
, vol.20
, pp. 1165-1176
-
-
Mitchell, J.B.O.1
Laskowski, R.A.2
Alex, A.3
Thornton, J.M.4
-
119
-
-
0000882405
-
-
Mitchell, J. B. O., Laskowski, R. A., Alex, A., Forster, M. J. and Thornton, J. M., ibid, 1999, 20, 1177-1185.
-
(1999)
J. Comput. Chem.
, vol.20
, pp. 1177-1185
-
-
Mitchell, J.B.O.1
Laskowski, R.A.2
Alex, A.3
Forster, M.J.4
Thornton, J.M.5
-
120
-
-
0000166646
-
-
Pitt, W. R., Murrayrust, J. and Goodfellow, J. M., ibid, 1993, 14, 1007-1018.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1007-1018
-
-
Pitt, W.R.1
Murrayrust, J.2
Goodfellow, J.M.3
-
121
-
-
0029633171
-
-
Goodfellow, J. M., Pitt, W. R., Smart, O. S. and Williams, M. A., Comput. Phys. Commun., 1995, 91, 321-329.
-
(1995)
Comput. Phys. Commun.
, vol.91
, pp. 321-329
-
-
Goodfellow, J.M.1
Pitt, W.R.2
Smart, O.S.3
Williams, M.A.4
-
122
-
-
0000934205
-
-
DeWitte, R. S. and Shakhnovich, E. I., J. Am. Chem. Soc., 1996, 118, 11733-11744.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 11733-11744
-
-
DeWitte, R.S.1
Shakhnovich, E.I.2
-
123
-
-
0033566211
-
-
Muegge, I., Martin, Y. C., Hajduk, P. J. and Fesik, S. W., J. Med. Chem., 1999, 42, 2498-2503.
-
(1999)
J. Med. Chem.
, vol.42
, pp. 2498-2503
-
-
Muegge, I.1
Martin, Y.C.2
Hajduk, P.J.3
Fesik, S.W.4
-
124
-
-
0034081944
-
-
Ha, S., Andreani, R., Robbins, A. and Muegge, I., J. Comput.-Aided Mol. Des., 2000, 14, 435-448.
-
(2000)
J. Comput.-Aided Mol. Des.
, vol.14
, pp. 435-448
-
-
Ha, S.1
Andreani, R.2
Robbins, A.3
Muegge, I.4
-
126
-
-
0002235298
-
-
Zimmerman, S. C. and Murray, T. J., Philos. Trans. R. Soc. London, Ser. A, 1993, 345, 49-56.
-
(1993)
Philos. Trans. R. Soc. London, Ser. A
, vol.345
, pp. 49-56
-
-
Zimmerman, S.C.1
Murray, T.J.2
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