-
1
-
-
0031688633
-
-
Gussio, R.; Pattabiraman, N.; Kellogg, G.E.; Zaharevitz, D.W. Methods, 1998, 14, 255-263.
-
(1998)
Methods
, vol.14
, pp. 255-263
-
-
Gussio, R.1
Pattabiraman, N.2
Kellogg, G.E.3
Zaharevitz, D.W.4
-
2
-
-
20144378530
-
-
Graves, A.P.; Brenk, R.; Shoichet, B.K. J. Med. Chem., 2005, 48, 3714-3728.
-
(2005)
J. Med. Chem
, vol.48
, pp. 3714-3728
-
-
Graves, A.P.1
Brenk, R.2
Shoichet, B.K.3
-
3
-
-
11144323163
-
-
Shoichet, B.K. Nature, 2004, 432, 862-865.
-
(2004)
Nature
, vol.432
, pp. 862-865
-
-
Shoichet, B.K.1
-
4
-
-
13944263886
-
-
Cummings, M.D.; DesJarlais, R.L.; Gibbs, A.C.; Mohan, V.; Jaeger, E.P. J. Med. Chem., 2005, 48, 962-976.
-
(2005)
J. Med. Chem
, vol.48
, pp. 962-976
-
-
Cummings, M.D.1
Desjarlais, R.L.2
Gibbs, A.C.3
Mohan, V.4
Jaeger, E.P.5
-
5
-
-
33749260698
-
-
Warren, G.L.; Andrews, C.W.; Capelli, A.M.; Clarke, B.; LaLonde, J.; Lambert, M.H.; Lindvall, M.; Nevins, N.; Semus, S.F.; Senger, S.; Tedesco, G.; Wall, I.D.; Woolven, J.M.; Peishoff, C.E.; Head, M.S. J. Med. Chem., 2006, 49, 5912-5931.
-
(2006)
J. Med. Chem
, vol.49
, pp. 5912-5931
-
-
Warren, G.L.1
Andrews, C.W.2
Capelli, A.M.3
Clarke, B.4
Lalonde, J.5
Lambert, M.H.6
Lindvall, M.7
Nevins, N.8
Semus, S.F.9
Senger, S.10
Tedesco, G.11
Wall, I.D.12
Woolven, J.M.13
Peishoff, C.E.14
Head, M.S.15
-
6
-
-
33749245117
-
-
Leach, A.R.; Shoichet, B.K.; Peishoff, C.E. J. Med. Chem., 2006, 49, 5851-5855.
-
(2006)
J. Med. Chem
, vol.49
, pp. 5851-5855
-
-
Leach, A.R.1
Shoichet, B.K.2
Peishoff, C.E.3
-
7
-
-
0038336897
-
-
Davis, A.M.; Teague, S.J.; Kleywegt, G.J. Angew. Chem. Int. Ed. Engl., 2003, 42, 2718-2736.
-
(2003)
Angew. Chem. Int. Ed. Engl
, vol.42
, pp. 2718-2736
-
-
Davis, A.M.1
Teague, S.J.2
Kleywegt, G.J.3
-
8
-
-
2342525085
-
-
DePristo, M.A.; de Bakker, P.I.; Blundell, T.L. Structure, 2004, 12, 831-838.
-
(2004)
Structure
, vol.12
, pp. 831-838
-
-
Depristo, M.A.1
de Bakker, P.I.2
Blundell, T.L.3
-
10
-
-
0003627422
-
-
New York, Oxford University Press
-
Giacovazzo, C.; Monaco, H.L.; Viterbo, D.; Scordari, F.; Gilli, G.; Zanotti, G.; Catti, M. Fundamentals of Crystallography. New York, Oxford University Press; 1992.
-
(1992)
Fundamentals of Crystallography
-
-
Giacovazzo, C.1
Monaco, H.L.2
Viterbo, D.3
Scordari, F.4
Gilli, G.5
Zanotti, G.6
Catti, M.7
-
11
-
-
0242579335
-
-
Borek, D.; Minor, W.; Otwinowski, Z. Acta Crystallogr. D. Biol. Crystallogr., 2003, 59, 2031-2038.
-
(2003)
Acta Crystallogr. D. Biol. Crystallogr
, vol.59
, pp. 2031-2038
-
-
Borek, D.1
Minor, W.2
Otwinowski, Z.3
-
12
-
-
0037165964
-
-
Hao, B.; Gong, W.; Ferguson, T.K.; James, C.M.; Krzycki, J.A.; Chan, M.K. Science, 2002, 296, 1462-1466.
-
(2002)
Science
, vol.296
, pp. 1462-1466
-
-
Hao, B.1
Gong, W.2
Ferguson, T.K.3
James, C.M.4
Krzycki, J.A.5
Chan, M.K.6
-
14
-
-
0033954256
-
-
Berman, H.M.; Westbrook, J.; Feng, Z.; Gilliland, G.; Bhat, T.N.; Weissig, H.; Shindyalov, I.N.; Bourne, P.E. Nucleic Acids. Res., 2000, 28, 235-242.
-
(2000)
Nucleic Acids. Res
, vol.28
, pp. 235-242
-
-
Berman, H.M.1
Westbrook, J.2
Feng, Z.3
Gilliland, G.4
Bhat, T.N.5
Weissig, H.6
Shindyalov, I.N.7
Bourne, P.E.8
-
15
-
-
0030599010
-
-
Rarey, M.; Kramer, B.; Lengauer, T.; 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
-
16
-
-
0034645763
-
-
Gohlke, H.; Hendlich, M.; 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
-
17
-
-
0031552362
-
-
Jones, G.; Willett, P.; Glen, R.C.; Leach, A.R.; Taylor, R. J. Mol. Biol., 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
-
18
-
-
0032806924
-
-
Davies, T.G.; Hubbard, R.E.; Tame, J.R. Protein Sci., 1999, 8, 1432-1444.
-
(1999)
Protein Sci
, vol.8
, pp. 1432-1444
-
-
Davies, T.G.1
Hubbard, R.E.2
Tame, J.R.3
-
19
-
-
33750979021
-
-
Gigmes, D.; Gaudel-Siri, A.; Marque, S.R.A.; Bertin, D.; Tordo, P.; Astolfi, P.; Greci, L.; Rizzoli, C. Helvet. Chim. Acta, 2006, 89, 2312-2326.
-
(2006)
Helvet. Chim. Acta
, vol.89
, pp. 2312-2326
-
-
Gigmes, D.1
Gaudel-Siri, A.2
Marque, S.R.A.3
Bertin, D.4
Tordo, P.5
Astolfi, P.6
Greci, L.7
Rizzoli, C.8
-
20
-
-
1642540577
-
-
Kontoyianni, M.; McClellan, L.M.; Sokol, G.S. J. Med. Chem., 2004, 47, 558-565.
-
(2004)
J. Med. Chem
, vol.47
, pp. 558-565
-
-
Kontoyianni, M.1
McClellan, L.M.2
Sokol, G.S.3
-
21
-
-
2942618669
-
-
Kellogg, G.E.; Fornabaio, M.; Spyrakis, F.; Lodola, A.; Cozzini, P.; Mozzarelli, A.; Abraham, D.J. J. Mol. Graph. Model., 2004, 22, 479-486.
-
(2004)
J. Mol. Graph. Model
, vol.22
, pp. 479-486
-
-
Kellogg, G.E.1
Fornabaio, M.2
Spyrakis, F.3
Lodola, A.4
Cozzini, P.5
Mozzarelli, A.6
Abraham, D.J.7
-
22
-
-
2542530042
-
-
Wang, R.; Fang, X.; Lu, Y.; Wang, S. J. Med. Chem., 2004, 47, 2977-2980.
-
(2004)
J. Med. Chem
, vol.47
, pp. 2977-2980
-
-
Wang, R.1
Fang, X.2
Lu, Y.3
Wang, S.4
-
23
-
-
14244271762
-
-
Chen, X.; Lin, Y.; Gilson, M.K. Biopolymers, 2001, 61, 127-141.
-
(2001)
Biopolymers
, vol.61
, pp. 127-141
-
-
Chen, X.1
Lin, Y.2
Gilson, M.K.3
-
24
-
-
23044480075
-
-
Hu, L.; Benson, M.L.; Smith, R.D.; Lerner, M.G.; Carlson, H.A. Proteins, 2005, 60, 333-340.
-
(2005)
Proteins
, vol.60
, pp. 333-340
-
-
Hu, L.1
Benson, M.L.2
Smith, R.D.3
Lerner, M.G.4
Carlson, H.A.5
-
25
-
-
0013133162
-
-
Nissink, J.W.; Murray, C.; Hartshorn, M.; Verdonk, M.L.; Cole, J.C.; Taylor, R. Proteins, 2002, 49, 457-471.
-
(2002)
Proteins
, vol.49
, pp. 457-471
-
-
Nissink, J.W.1
Murray, C.2
Hartshorn, M.3
Verdonk, M.L.4
Cole, J.C.5
Taylor, R.6
-
27
-
-
0027477251
-
-
Gilson, M.K. Proteins, 1993, 15, 266-282.
-
(1993)
Proteins
, vol.15
, pp. 266-282
-
-
Gilson, M.K.1
-
29
-
-
0027563464
-
-
Yang, A.S.; Gunner, M.R.; Sampogna, R.; Sharp, K.; Honig, B. Proteins, 1993, 15, 252-265.
-
(1993)
Proteins
, vol.15
, pp. 252-265
-
-
Yang, A.S.1
Gunner, M.R.2
Sampogna, R.3
Sharp, K.4
Honig, B.5
-
31
-
-
0000945505
-
-
Antosiewicz, J.; Briggs, J.M.; Elcock, A.H.; Gilson, M.K.; McCammon, J.A. J. Comput. Chem., 1996, 17, 1633-1644.
-
(1996)
J. Comput. Chem
, vol.17
, pp. 1633-1644
-
-
Antosiewicz, J.1
Briggs, J.M.2
Elcock, A.H.3
Gilson, M.K.4
McCammon, J.A.5
-
32
-
-
0028305457
-
-
Antosiewicz, J.; McCammon, J.A.; Gilson, M.K. J. Mol. Biol., 1994, 238, 415-436.
-
(1994)
J. Mol. Biol
, vol.238
, pp. 415-436
-
-
Antosiewicz, J.1
McCammon, J.A.2
Gilson, M.K.3
-
33
-
-
0029665693
-
-
Antosiewicz, J.; McCammon, J.A.; Gilson, M.K. Biochemistry, 1996, 35, 7819-7833.
-
(1996)
Biochemistry
, vol.35
, pp. 7819-7833
-
-
Antosiewicz, J.1
McCammon, J.A.2
Gilson, M.K.3
-
35
-
-
0000671518
-
-
Sham, Y.Y.; Chu, Z.T.; Warshel, A. J. Phys. Chem. B., 1997, 101, 4458-4472.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 4458-4472
-
-
Sham, Y.Y.1
Chu, Z.T.2
Warshel, A.3
-
36
-
-
0032903829
-
-
Duarte, H.A.; Carvalho, S.; Paniago, E.B.; Simas, A.M. J. Pharm. Sci., 1999, 88, 111-120.
-
(1999)
J. Pharm. Sci
, vol.88
, pp. 111-120
-
-
Duarte, H.A.1
Carvalho, S.2
Paniago, E.B.3
Simas, A.M.4
-
39
-
-
0035823820
-
-
Crnogorac, M.M.; Ullmann, G.M.; Kostic, N.M. J. Am. Chem. Soc., 2001, 123, 10789-10798.
-
(2001)
J. Am. Chem. Soc
, vol.123
, pp. 10789-10798
-
-
Crnogorac, M.M.1
Ullmann, G.M.2
Kostic, N.M.3
-
41
-
-
0141923634
-
-
Fornabaio, M.; Cozzini, P.; Mozzarelli, A.; Abraham, D.J.; Kellogg, G.E. J. Med. Chem., 2003, 46, 4487-4500.
-
(2003)
J. Med. Chem
, vol.46
, pp. 4487-4500
-
-
Fornabaio, M.1
Cozzini, P.2
Mozzarelli, A.3
Abraham, D.J.4
Kellogg, G.E.5
-
42
-
-
4644348577
-
-
Spyrakis, F.; Fornabaio, M.; Cozzini, P.; Mozzarelli, A.; Abraham, D.J.; Kellogg, G.E. J. Am. Chem. Soc., 2004, 126, 11764-11765.
-
(2004)
J. Am. Chem. Soc
, vol.126
, pp. 11764-11765
-
-
Spyrakis, F.1
Fornabaio, M.2
Cozzini, P.3
Mozzarelli, A.4
Abraham, D.J.5
Kellogg, G.E.6
-
43
-
-
0032562202
-
-
Louis, J.M.; Dyda, F.; Nashed, N.T.; Kimmel, A.R.; Davies, D.R. Biochemistry, 1998, 37, 2105-2110.
-
(1998)
Biochemistry
, vol.37
, pp. 2105-2110
-
-
Louis, J.M.1
Dyda, F.2
Nashed, N.T.3
Kimmel, A.R.4
Davies, D.R.5
-
44
-
-
4143081344
-
-
Fornabaio, M.; Spyrakis, F.; Mozzarelli, A.; Cozzini, P.; Abraham, D.J.; Kellogg, G.E. J. Med. Chem., 2004, 47, 4507-4516.
-
(2004)
J. Med. Chem
, vol.47
, pp. 4507-4516
-
-
Fornabaio, M.1
Spyrakis, F.2
Mozzarelli, A.3
Cozzini, P.4
Abraham, D.J.5
Kellogg, G.E.6
-
46
-
-
77949977626
-
-
Lipkowitz, K.; Boyd, D.; Ed., Wiley- VCH, John Wiley and Sons, Inc.: New York
-
Bohm, H.; Stahl, M. In Reviews in Computational Chemistry; Lipkowitz, K.; Boyd, D.; Ed., Wiley- VCH, John Wiley and Sons, Inc.: New York, 2002; Vol 18, pp. 41-87.
-
(2002)
Reviews In Computational Chemistry
, vol.18
, pp. 41-87
-
-
Bohm, H.1
Stahl, M.2
-
47
-
-
1542529333
-
-
Oprea, T.; Marshall, G. Persp. Drug Discov. Des., 1998, 9/10/11, 35-61.
-
(1998)
Persp. Drug Discov. Des
, vol.9-10
, Issue.11
, pp. 35-61
-
-
Oprea, T.1
Marshall, G.2
-
48
-
-
84956796236
-
-
Bohm, H.; Schneider, G.; Ed., Wiley-VCH: Weinheim
-
Stahl, M. In Virtual Screening for Bioactive Molecules; Bohm, H.; Schneider, G.; Ed., Wiley-VCH: Weinheim, 2000; Vol 10, pp. 229-264.
-
(2000)
Virtual Screening For Bioactive Molecules
, vol.10
, pp. 229-264
-
-
Stahl, M.1
-
49
-
-
0020491251
-
-
Kuntz, I.D.; Blaney, J.M.; Oatley, S.J.; Langridge, R.; 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.4
Ferrin, T.E.5
-
50
-
-
0034649618
-
-
Bissantz, C.; Folkers, G.; Rognan, D. J. Med. Chem., 2000, 43, 4759-4767.
-
(2000)
J. Med. Chem
, vol.43
, pp. 4759-4767
-
-
Bissantz, C.1
Folkers, G.2
Rognan, D.3
-
52
-
-
0037763817
-
-
Wang, R.; Lu, Y.; Wang, S. J. Med. Chem., 2003, 46, 2287-2303.
-
(2003)
J. Med. Chem
, vol.46
, pp. 2287-2303
-
-
Wang, R.1
Lu, Y.2
Wang, S.3
-
53
-
-
10044294023
-
-
Wang, R.; Lu, Y.; Fang, X.; Wang, S. J. Chem. Inf. Comput. Sci., 2004, 44, 2114-2125.
-
(2004)
J. Chem. Inf. Comput. Sci
, vol.44
, pp. 2114-2125
-
-
Wang, R.1
Lu, Y.2
Fang, X.3
Wang, S.4
-
54
-
-
4544367743
-
-
Kellenberger, E.; Rodrigo, J.; Muller, P.; Rognan, D. Proteins, 2004, 57, 225-242.
-
(2004)
Proteins
, vol.57
, pp. 225-242
-
-
Kellenberger, E.1
Rodrigo, J.2
Muller, P.3
Rognan, D.4
-
63
-
-
0002225424
-
-
Kluwer/Escom: Dordrecht
-
Oprea, T.; Marshall, G. In 3D QSAR in Drug Design: Ligand Protein Interactions and Molecular Similarity, Ed.; Kluwer/Escom: Dordrecht, 1998; Vol 9/10/11, pp. 3-17.
-
(1998)
3D QSAR In Drug Design: Ligand Protein Interactions and Molecular Similarity
, vol.9-10
, Issue.11
, pp. 3-17
-
-
Oprea, T.1
Marshall, G.2
-
64
-
-
0035765452
-
-
Lipkowitz, K.; Boyd, D.; Ed.; Wiley- VCH, John Wiley and Sons, Inc.: New York
-
Muegge, I.; Rarey, I. In Review in Computational Chemistry; Lipkowitz, K.; Boyd, D.; Ed.; Wiley- VCH, John Wiley and Sons, Inc.: New York, 2001; Vol 17, pp. 1-61.
-
(2001)
Review In Computational Chemistry
, vol.17
, pp. 1-61
-
-
Muegge, I.1
Rarey, I.2
-
65
-
-
7044239742
-
-
Kollman, P. Chem. Rev., 1993, 7, 2395-2417.
-
(1993)
Chem. Rev
, vol.7
, pp. 2395-2417
-
-
Kollman, P.1
-
67
-
-
0036535906
-
-
Verkhivker, G.M.; Bouzida, D.; Gehlhaar, D.K.; Rejto, P.A.; Freer, S.T.; Rose, P.W. Curr. Opin. Struct. Biol., 2002, 12, 197-203.
-
(2002)
Curr. Opin. Struct. Biol
, vol.12
, pp. 197-203
-
-
Verkhivker, G.M.1
Bouzida, D.2
Gehlhaar, D.K.3
Rejto, P.A.4
Freer, S.T.5
Rose, P.W.6
-
69
-
-
0021757436
-
-
Weiner, S.J.; Kollman, P.A.; Case, D.A.; Singh, U.C.; Ghio, C.; Alagona, G.; Profeta, Jr. S.; Weiner, P. J. Am. Chem. Soc., 1984, 106, 765-784.
-
(1984)
J. Am. Chem. Soc
, vol.106
, pp. 765-784
-
-
Weiner, S.J.1
Kollman, P.A.2
Case, D.A.3
Singh, U.C.4
Ghio, C.5
Alagona, G.6
Profeta, S.7
Weiner, P.8
-
70
-
-
84988053694
-
-
Weiner, S.J.; Kollman, P.A.; Nguyen, D.T.; Case, D.A. J. Comput. Chem., 1986, 7, 230-252.
-
(1986)
J. Comput. Chem
, vol.7
, pp. 230-252
-
-
Weiner, S.J.1
Kollman, P.A.2
Nguyen, D.T.3
Case, D.A.4
-
71
-
-
84986512474
-
-
Brooks, B.R.; Bruccoleri, R.E.; Olafson, B.D.; States, D.J.; Swaminathan, S.; Karplus, M. J. Comput. Chem., 1983, 2, 187-217.
-
(1983)
J. Comput. Chem
, vol.2
, 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
-
72
-
-
0023494755
-
-
Koheler, J.E.H.; Saenger, W.; van Gunsteren, W.F. Eur. J. Biophys., 1987, 15, 197-210.
-
(1987)
Eur. J. Biophys
, vol.15
, pp. 197-210
-
-
Koheler, J.E.H.1
Saenger, W.2
van Gunsteren, W.F.3
-
74
-
-
84870983168
-
-
New York, VCH Publishers
-
Dinur, U.; Hagler, A.T. New York, VCH Publishers; 1991.
-
(1991)
-
-
Dinur, U.1
Hagler, A.T.2
-
75
-
-
84871012309
-
-
The SYBYL software, T.I
-
The SYBYL software, T.I.; http://www.tripos.com/, 1995, Tripos Inc.: St. Louis, MO.
-
(1995)
Tripos Inc.: St. Louis, MO
-
-
-
78
-
-
0024821263
-
-
Allinger, N.L.; Yuh, Y.H.; Lii, J.H. J. Am. Chem. Soc., 1989, 111, 8551-8566.
-
(1989)
J. Am. Chem. Soc
, vol.111
, pp. 8551-8566
-
-
Allinger, N.L.1
Yuh, Y.H.2
Lii, J.H.3
-
79
-
-
0002647913
-
-
Lipkowitz, K.; Boyd, D.; Ed., VCH Publishers: New York
-
Bowen, J.P.; Allinger, N.L. In Reviews in Computational Chemistry; Lipkowitz, K.; Boyd, D.; Ed., VCH Publishers: New York, 1991; Vol 2, pp. 81-97.
-
(1991)
Reviews In Computational Chemistry
, vol.2
, pp. 81-97
-
-
Bowen, J.P.1
Allinger, N.L.2
-
83
-
-
0344778061
-
-
Still, W.C.; Tempczyk, A.; Hawley, R.C.; Hendrickson, T. J. Am. Chem. Soc., 1990, 112, 6127-6129.
-
(1990)
J. Am. Chem. Soc
, vol.112
, pp. 6127-6129
-
-
Still, W.C.1
Tempczyk, A.2
Hawley, R.C.3
Hendrickson, T.4
-
85
-
-
84986432941
-
-
Meng, E.C.; Shoichet, B.K.; Kuntz, I.D. J. Comput. Chem., 1992, 13, 505-524.
-
(1992)
J. Comput. Chem
, vol.13
, pp. 505-524
-
-
Meng, E.C.1
Shoichet, B.K.2
Kuntz, I.D.3
-
86
-
-
0028455325
-
-
Meng, E.C.; Kuntz, I.D.; Abraham, D.J.; Kellogg, G.E. J. Comput. Aided Mol. Des., 1994, 8, 299-306.
-
(1994)
J. Comput. Aided Mol. Des
, vol.8
, pp. 299-306
-
-
Meng, E.C.1
Kuntz, I.D.2
Abraham, D.J.3
Kellogg, G.E.4
-
87
-
-
0035025191
-
-
Ewing, T.J.A.; Makino, S.; Skillman, A.G.; Kuntz, I.D. J. Comput. Aided Mol. Des., 2001, 15, 411-428.
-
(2001)
J. Comput. Aided Mol. Des
, vol.15
, pp. 411-428
-
-
Ewing, T.J.A.1
Makino, S.2
Skillman, A.G.3
Kuntz, I.D.4
-
88
-
-
0032939345
-
-
Shoichet, B.K.; Leach, A.R.; Kuntz, I.D. Proteins, 1999, 34, 4-16.
-
(1999)
Proteins
, vol.34
, pp. 4-16
-
-
Shoichet, B.K.1
Leach, A.R.2
Kuntz, I.D.3
-
89
-
-
84986432941
-
-
Meng, E.C.; Schoichet, B.K.; Kuntz, I.D. J. Comput. Chem., 1992, 13, 505-524.
-
(1992)
J. Comput. Chem
, vol.13
, pp. 505-524
-
-
Meng, E.C.1
Schoichet, B.K.2
Kuntz, I.D.3
-
96
-
-
84870993960
-
-
http://dock.compbio.ucsf.edu/.
-
-
-
-
98
-
-
0028412035
-
-
Miller, M.D.; Kearsley, S.K.; Underwood, D.J.; 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
-
102
-
-
0029811146
-
-
Bohacek, R.S.; De Lombaert, S.; McMartin, C.; Priestle, J.; Gruetter, M. J. Am. Chem. Soc., 1996, 118, 8231.
-
(1996)
J. Am. Chem. Soc
, vol.118
, pp. 8231
-
-
Bohacek, R.S.1
de Lombaert, S.2
McMartin, C.3
Priestle, J.4
Gruetter, M.5
-
103
-
-
0031042767
-
-
Ksander, G.M.; De Jesus, R.; Yuan, A.; Ghai, R.D.; McMartin, C.; Bohacek, R.S. J. Med. Chem., 1997, 40, 506-514.
-
(1997)
J. Med. Chem
, vol.40
, pp. 506-514
-
-
Ksander, G.M.1
de Jesus, R.2
Yuan, A.3
Ghai, R.D.4
McMartin, C.5
Bohacek, R.S.6
-
104
-
-
0031047662
-
-
Ksander, G.M.; De Jesus, R.; Yuan, A.; Ghai, R.D.; Trapani, C.; McMartin, C.; Bohacek, R.S. J. Med. Chem., 1997, 40, 495-505.
-
(1997)
J. Med. Chem
, vol.40
, pp. 495-505
-
-
Ksander, G.M.1
de Jesus, R.2
Yuan, A.3
Ghai, R.D.4
Trapani, C.5
McMartin, C.6
Bohacek, R.S.7
-
105
-
-
33745183358
-
-
Bohacek, R.; Boosalis, M.S.; McMartin, C.; Faller, D.V.; Perrine, S.P. Chem. Biol. Drug Des., 2006, 67, 318-328.
-
(2006)
Chem. Biol. Drug Des
, vol.67
, pp. 318-328
-
-
Bohacek, R.1
Boosalis, M.S.2
McMartin, C.3
Faller, D.V.4
Perrine, S.P.5
-
106
-
-
33745183886
-
-
Colebrook, C.; USA: Thistlesoft. Available a, Last accessed 25 May
-
McMartin, C. The FLO/QXP Molecular Modeling Software. Colebrook, C.; USA: Thistlesoft. Available at: cmcma@ix.netcom.com. Last accessed 25 May 2006.
-
(2006)
The FLO/QXP Molecular Modeling Software
-
-
McMartin, C.1
-
107
-
-
33745390664
-
-
Alisaraie, L.; Haller, L.A.; Fels, G. J. Chem. Inf. Model., 2006, 46, 1174-1187.
-
(2006)
J. Chem. Inf. Model
, vol.46
, pp. 1174-1187
-
-
Alisaraie, L.1
Haller, L.A.2
Fels, G.3
-
108
-
-
0037460578
-
-
Mezei, M. J. Chem. Phys., 2003, 118, 3874-3879.
-
(2003)
J. Chem. Phys
, vol.118
, pp. 3874-3879
-
-
Mezei, M.1
-
110
-
-
0004471934
-
-
Xu, K.; Perola, E.; Prendergast, F.G.; Pang, Y.P. J. Mol. Model., 1999, 5, 203-217.
-
(1999)
J. Mol. Model
, vol.5
, pp. 203-217
-
-
Xu, K.1
Perola, E.2
Prendergast, F.G.3
Pang, Y.P.4
-
111
-
-
0034628541
-
-
Perola, E.; Xu, K.; Kollmeyer, T.M.; Kaufmann, S.H.; Prendergast, F.G.; Pang, Y.P. J. Med. Chem., 2000, 43, 401-408.
-
(2000)
J. Med. Chem
, vol.43
, pp. 401-408
-
-
Perola, E.1
Xu, K.2
Kollmeyer, T.M.3
Kaufmann, S.H.4
Prendergast, F.G.5
Pang, Y.P.6
-
113
-
-
10344237290
-
-
Pang, Y.P.; Silva, N.D.; Hydock, C.; Prendergast, F.G. J. Mol. Model., 1997, 3, 240-248.
-
(1997)
J. Mol. Model
, vol.3
, pp. 240-248
-
-
Pang, Y.P.1
Silva, N.D.2
Hydock, C.3
Prendergast, F.G.4
-
114
-
-
0029011701
-
-
Cornell, W.D.; Cieplak, P.; Bayly, C.I.; Gould, I.R.; Merz, K.M.; Ferguson, D.M.; Spellmeyer, D.S.; Fox, T.; Caldwell, J.W.; Kollman, P.A. J. Am. Chem. Soc., 1995, 117, 5179-5197.
-
(1995)
J. Am. Chem. Soc
, vol.117
, pp. 5179-5197
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz, K.M.5
Ferguson, D.M.6
Spellmeyer, D.S.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
115
-
-
0035976367
-
-
Pang, Y.P.; Perola, E.; Xu, K.; Prendergast, F.G. J. Comput. Chem., 2001, 22, 1750-1771.
-
(2001)
J. Comput. Chem
, vol.22
, pp. 1750-1771
-
-
Pang, Y.P.1
Perola, E.2
Xu, K.3
Prendergast, F.G.4
-
116
-
-
0034521981
-
-
Kollman, P.A.; Massova, I.; Reyes, C.; Kuhn, B.; Huo, S.; Chong, L.; Lee, M.; Lee, T.; Duan, Y.; Wang, W.; Donini, O.; Cieplak, P.; Srinivasan, J.; Case, D.A.; Cheatham III T.E. Acc. Chem. Res., 2000, 33, 889-897.
-
(2000)
Acc. Chem. Res
, vol.33
, pp. 889-897
-
-
Kollman, P.A.1
Massova, I.2
Reyes, C.3
Kuhn, B.4
Huo, S.5
Chong, L.6
Lee, M.7
Lee, T.8
Duan, Y.9
Wang, W.10
Donini, O.11
Cieplak, P.12
Srinivasan, J.13
Case, D.A.14
Cheatham III, T.E.15
-
119
-
-
0033405041
-
-
Chong, L.T.; Duan, Y.; Wang, L.; Massova, I.; Kollman, P.A. Proc. Natl. Acad. Sci. U. S. A., 1999, 96, 14330-14335.
-
(1999)
Proc. Natl. Acad. Sci. U. S. A
, vol.96
, pp. 14330-14335
-
-
Chong, L.T.1
Duan, Y.2
Wang, L.3
Massova, I.4
Kollman, P.A.5
-
121
-
-
0031588025
-
-
Bottger, A.; Bottger, V.; Garcia-Echeverria, C.; Chene, P.; Hochkeppel, H.K.; Sampson, W.; Ang, K.; Howard, S.F.; Picksley, S.M.; Lane, D.P. J. Mol. Biol., 1997, 269, 744-756.
-
(1997)
J. Mol. Biol
, vol.269
, pp. 744-756
-
-
Bottger, A.1
Bottger, V.2
Garcia-Echeverria, C.3
Chene, P.4
Hochkeppel, H.K.5
Sampson, W.6
Ang, K.7
Howard, S.F.8
Picksley, S.M.9
Lane, D.P.10
-
123
-
-
0037079570
-
-
Huo, S.; Massova, I.; Kollman, P.A. J. Comput. Chem., 2002, 23, 15-27.
-
(2002)
J. Comput. Chem
, vol.23
, pp. 15-27
-
-
Huo, S.1
Massova, I.2
Kollman, P.A.3
-
126
-
-
0032342086
-
-
Boyd, D.; Ed., Wiley-VCH: New York
-
Meirovitch, H. In Reviews in Computational Chemistry; Boyd, D.; Ed., Wiley-VCH: New York, 1998; Vol 11, pp. 1-74.
-
(1998)
Reviews In Computational Chemistry
, vol.11
, pp. 1-74
-
-
Meirovitch, H.1
-
130
-
-
84986522918
-
-
Abagyan, R.; Totrov, M.; Kuznetsov, D. J. Comput. Chem., 1994, 15, 488-506.
-
(1994)
J. Comput. Chem
, vol.15
, pp. 488-506
-
-
Abagyan, R.1
Totrov, M.2
Kuznetsov, D.3
-
131
-
-
33845550595
-
-
Nemethy, G.; Pottle, M.S.; Scheraga, H.A. J. Phys. Chem., 1983, 87, 1883-1887.
-
(1983)
J. Phys. Chem
, vol.87
, pp. 1883-1887
-
-
Nemethy, G.1
Pottle, M.S.2
Scheraga, H.A.3
-
132
-
-
0001731773
-
-
Nemethy, G.; Gibson, K.D.; Palmer, K.A.; Yoon, C.N.; Paterlini, G.; Zagari, A.; Rumsey, S.; Scheraga, H.A. J. Phys. Chem., 1992, 96, 6472-6484.
-
(1992)
J. Phys. Chem
, vol.96
, pp. 6472-6484
-
-
Nemethy, G.1
Gibson, K.D.2
Palmer, K.A.3
Yoon, C.N.4
Paterlini, G.5
Zagari, A.6
Rumsey, S.7
Scheraga, H.A.8
-
135
-
-
0033137131
-
-
Schapira, M.; Totrov, M.; Abagyan, R. J. Mol. Recognit., 1999, 12, 177-190.
-
(1999)
J. Mol. Recognit
, vol.12
, pp. 177-190
-
-
Schapira, M.1
Totrov, M.2
Abagyan, R.3
-
138
-
-
0002334742
-
-
Juffer, A.H.; Botta, E.F.; van Keilen, B.M.; van der Ploeg, A.; Berendsen, H.C. J. Comput. Phys., 1991, 97, 144-171.
-
(1991)
J. Comput. Phys
, vol.97
, pp. 144-171
-
-
Juffer, A.H.1
Botta, E.F.2
van Keilen, B.M.3
van der Ploeg, A.4
Berendsen, H.C.5
-
139
-
-
84986452939
-
-
Bharadwaj, A.; Windemuth, A.; Sridharan, S.; Honig, B.; Nicholls, A. J. Comput. Chem., 1995, 16, 898-910.
-
(1995)
J. Comput. Chem
, vol.16
, pp. 898-910
-
-
Bharadwaj, A.1
Windemuth, A.2
Sridharan, S.3
Honig, B.4
Nicholls, A.5
-
142
-
-
13344275187
-
-
Strynadka, N.C.; Eisenstein, M.; Katchalski-Katzir, E.; Shoichet, B.K.; Kuntz, I.D.; Abagyan, R.; Totrov, M.; Janin, J.; Cherfils, J.; Zimmerman, F.; Olson, A.; Duncan, B.; Rao, M.; Jackson, R.; Sternberg, M.; James, M.N. Nat. Struct. Biol., 1996, 3, 233-239.
-
(1996)
Nat. Struct. Biol
, vol.3
, pp. 233-239
-
-
Strynadka, N.C.1
Eisenstein, M.2
Katchalski-Katzir, E.3
Shoichet, B.K.4
Kuntz, I.D.5
Abagyan, R.6
Totrov, M.7
Janin, J.8
Cherfils, J.9
Zimmerman, F.10
Olson, A.11
Duncan, B.12
Rao, M.13
Jackson, R.14
Sternberg, M.15
James, M.N.16
-
143
-
-
0033965389
-
-
Schapira, M.; Raaka, B.M.; Samuels, H.H.; Abagyan, R. Proc. Natl. Acad. Sci. U. S. A., 2000, 97, 1008-1013.
-
(2000)
Proc. Natl. Acad. Sci. U. S. A
, vol.97
, pp. 1008-1013
-
-
Schapira, M.1
Raaka, B.M.2
Samuels, H.H.3
Abagyan, R.4
-
144
-
-
3042782458
-
-
Schapira, M.; Raaka, B.M.; Samuels, H.H.; Abagyan, R. BMC Struct. Biol., 2001, 1, 1-7.
-
(2001)
BMC Struct. Biol
, vol.1
, pp. 1-7
-
-
Schapira, M.1
Raaka, B.M.2
Samuels, H.H.3
Abagyan, R.4
-
145
-
-
17344380633
-
-
Fernandez-Recio, J.; Totrov, M.; Abagyan, R. Proteins, 2003, 52, 113-117.
-
(2003)
Proteins
, vol.52
, pp. 113-117
-
-
Fernandez-Recio, J.1
Totrov, M.2
Abagyan, R.3
-
147
-
-
21644473891
-
-
Cavasotto, C.N.; Kovacs, J.A.; Abagyan, R.A. J. Am. Chem. Soc., 2005, 127, 9632-9640.
-
(2005)
J. Am. Chem. Soc
, vol.127
, pp. 9632-9640
-
-
Cavasotto, C.N.1
Kovacs, J.A.2
Abagyan, R.A.3
-
148
-
-
4143083687
-
-
Cavasotto, C.N.; Liu, G.; James, S.Y.; Hobbs, P.D.; Peterson, V.J.; Bhattacharya, A.A.; Kolluri, S.K.; Zhang, X.-K.; Leid, M.; Abagyan, R.; Liddington, R.C.; Dawson, M.I. J. Med. Chem., 2004, 47, 4360-4372.
-
(2004)
J. Med. Chem
, vol.47
, pp. 4360-4372
-
-
Cavasotto, C.N.1
Liu, G.2
James, S.Y.3
Hobbs, P.D.4
Peterson, V.J.5
Bhattacharya, A.A.6
Kolluri, S.K.7
Zhang, X.-K.8
Leid, M.9
Abagyan, R.10
Liddington, R.C.11
Dawson, M.I.12
-
149
-
-
33746769426
-
-
Altmann, S.M.; Muryshev, A.; Fossale, E.; Maxwell, M.M.; Norflus, F.N.; Fox, J.; Hersch, S.M.; Young, A.B.; MacDonald, M.E.; Abagyan, R.; Kazantsev, A.G. Chem. Biol., 2006, 13, 765-770.
-
(2006)
Chem. Biol
, vol.13
, pp. 765-770
-
-
Altmann, S.M.1
Muryshev, A.2
Fossale, E.3
Maxwell, M.M.4
Norflus, F.N.5
Fox, J.6
Hersch, S.M.7
Young, A.B.8
Macdonald, M.E.9
Abagyan, R.10
Kazantsev, A.G.11
-
150
-
-
33144460979
-
-
Cavasotto, C.N.; Ortiz, M.A.; Abagyan, R.A.; Piedrafita, F.J. Bioorg. Med. Chem. Lett., 2006, 16, 1969-1974.
-
(2006)
Bioorg. Med. Chem. Lett
, vol.16
, pp. 1969-1974
-
-
Cavasotto, C.N.1
Ortiz, M.A.2
Abagyan, R.A.3
Piedrafita, F.J.4
-
151
-
-
1842431537
-
-
Bursulaya, B.D.; Totrov, M.; Abagyan, R.; Brooks, C.L. 3rd. J. Comput. Aided Mol. Des., 2003, 17, 755-763.
-
(2003)
J. Comput. Aided Mol. Des
, vol.17
, pp. 755-763
-
-
Bursulaya, B.D.1
Totrov, M.2
Abagyan, R.3
Brooks III, C.L.4
-
152
-
-
0028854034
-
-
Jones, G.; Willett, P.; 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
-
153
-
-
84988115618
-
-
Clark, M.; Cramer, R.D.; Van Opdenbosch, N. J. Comput. Chem., 1989, 10, 982-1012.
-
(1989)
J. Comput. Chem
, vol.10
, pp. 982-1012
-
-
Clark, M.1
Cramer, R.D.2
van Opdenbosch, N.3
-
155
-
-
0041919542
-
-
Verdonk, M.L.; Cole, J.C.; Hartshorn, M.J.; Murray, C.W.; Taylor, R.D. Proteins, 2003, 52, 609-623.
-
(2003)
Proteins
, vol.52
, pp. 609-623
-
-
Verdonk, M.L.1
Cole, J.C.2
Hartshorn, M.J.3
Murray, C.W.4
Taylor, R.D.5
-
156
-
-
2942721004
-
-
Verdonk, M.L.; Berdini, V.; Hartshorn, M.J.; Mooij, W.T.; Murray, C.W.; Taylor, R.D.; Watson, P. J. Chem. Inf. Comput. Sci., 2004, 44, 793-806.
-
(2004)
J. Chem. Inf. Comput. Sci
, vol.44
, pp. 793-806
-
-
Verdonk, M.L.1
Berdini, V.2
Hartshorn, M.J.3
Mooij, W.T.4
Murray, C.W.5
Taylor, R.D.6
Watson, P.7
-
157
-
-
26444586139
-
-
Verdonk, M.L.; Chessari, G.; Cole, J.C.; Hartshorn, M.J.; Murray, C.W.; Nissink, J.W.; Taylor, R.D.; Taylor, R. J. Med. Chem., 2005, 48, 6504-6515.
-
(2005)
J. Med. Chem
, vol.48
, pp. 6504-6515
-
-
Verdonk, M.L.1
Chessari, G.2
Cole, J.C.3
Hartshorn, M.J.4
Murray, C.W.5
Nissink, J.W.6
Taylor, R.D.7
Taylor, R.8
-
158
-
-
0030203710
-
-
Morris, G.M.; Goodsell, D.S.; Huey, R.; 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
-
159
-
-
11644261806
-
-
Morris, G.M.; Goodsell, D.S.; Halliday, R.S.; Huey, R.; Hart, W.E.; Belew, R.K.; 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
-
160
-
-
0028881193
-
-
Verkhivker, G.; Appelt, K.; Freer, S.T.; Villafranca, J.E. Protein Eng., 1995, 8, 677-691.
-
(1995)
Protein Eng
, vol.8
, pp. 677-691
-
-
Verkhivker, G.1
Appelt, K.2
Freer, S.T.3
Villafranca, J.E.4
-
161
-
-
0027804108
-
-
Stouten, P.F.; Frommel, C.; Nakamura, H.; Sander, C. Mol. Simul., 1993, 10, 97-120.
-
(1993)
Mol. Simul
, vol.10
, pp. 97-120
-
-
Stouten, P.F.1
Frommel, C.2
Nakamura, H.3
Sander, C.4
-
163
-
-
0027185516
-
-
Goodsell, D.S.; Lauble, H.; Stout, C.D.; Olson, A.J. Proteins, 1993, 17, 1-10.
-
(1993)
Proteins
, vol.17
, pp. 1-10
-
-
Goodsell, D.S.1
Lauble, H.2
Stout, C.D.3
Olson, A.J.4
-
164
-
-
0029705324
-
-
Goodsell, D.S.; Morris, G.M.; Olson, A.J. J. Mol. Recognit., 1996, 9, 1-5.
-
(1996)
J. Mol. Recognit
, vol.9
, pp. 1-5
-
-
Goodsell, D.S.1
Morris, G.M.2
Olson, A.J.3
-
165
-
-
0028128838
-
-
Lunney, E.A.; Hagen, S.E.; Domagala, J.M.; Humblet, C.; Kosinski, J.; Tait, B.D.; Warmus, J.S.; Wilson, M.; Ferguson, D.; Hupe, D.; Tummino, P.J.; Baldwin, E.T.; Bhat, T.N.; Liu, B.; Erickson, J.W. J. Med. Chem., 1994, 37, 2664-2677.
-
(1994)
J. Med. Chem
, vol.37
, pp. 2664-2677
-
-
Lunney, E.A.1
Hagen, S.E.2
Domagala, J.M.3
Humblet, C.4
Kosinski, J.5
Tait, B.D.6
Warmus, J.S.7
Wilson, M.8
Ferguson, D.9
Hupe, D.10
Tummino, P.J.11
Baldwin, E.T.12
Bhat, T.N.13
Liu, B.14
Erickson, J.W.15
-
167
-
-
0028094959
-
-
Vara Prasad, J.V.N.; Para, S.; Lunney, E.A.; Ortwine, D.F.; Dunbar, J.B.; Ferguson, Jr. D.; Tummino, P.J.; Hupe, D.; Tait, B.D.; Domagala, J.M.; Humblet, C.; Bhat, T.N.; Liu, B.; Guerin, D.M.A.; Baldwin, E.T.; Erickson, J.W.; Sawyer, T.K. J. Am. Chem. Soc., 1994, 116, 6989-6990.
-
(1994)
J. Am. Chem. Soc
, vol.116
, pp. 6989-6990
-
-
Vara, P.J.V.N.1
Para, S.2
Lunney, E.A.3
Ortwine, D.F.4
Dunbar, J.B.5
Ferguson, D.6
Tummino, P.J.7
Hupe, D.8
Tait, B.D.9
Domagala, J.M.10
Humblet, C.11
Bhat, T.N.12
Liu, B.13
Guerin, D.M.A.14
Baldwin, E.T.15
Erickson, J.W.16
Sawyer, T.K.17
-
168
-
-
0034427019
-
-
Sotriffer, C.A.; Flader, W.; Winger, R.H.; Rode, B.M.; Liedl, K.R.; Varga, J.M. Methods, 2000, 20, 280-291.
-
(2000)
Methods
, vol.20
, pp. 280-291
-
-
Sotriffer, C.A.1
Flader, W.2
Winger, R.H.3
Rode, B.M.4
Liedl, K.R.5
Varga, J.M.6
-
169
-
-
0032716849
-
-
Laederach, A.; Dowd, M.K.; Coutinho, P.M.; Reilly, P.J. Proteins, 1999, 37, 166-175.
-
(1999)
Proteins
, vol.37
, pp. 166-175
-
-
Laederach, A.1
Dowd, M.K.2
Coutinho, P.M.3
Reilly, P.J.4
-
171
-
-
33750945838
-
-
Ali, H.I.; Tomita, K.; Akaho, E.; Kambara, H.; Miura, S.; Hayakawa, H.; Ashida, N.; Kawashima, Y.; Yamagishi, T.; Ikeya, H.; Yoneda, F.; Nagamatsu, T. Bioorg. Med. Chem., 2007, 15, 242-256.
-
(2007)
Bioorg. Med. Chem
, vol.15
, pp. 242-256
-
-
Ali, H.I.1
Tomita, K.2
Akaho, E.3
Kambara, H.4
Miura, S.5
Hayakawa, H.6
Ashida, N.7
Kawashima, Y.8
Yamagishi, T.9
Ikeya, H.10
Yoneda, F.11
Nagamatsu, T.12
-
174
-
-
0033536456
-
-
Zou, X.; Yaxiong, S.; Kuntz, I.D. J. Am. Chem. Soc., 1999, 121, 8033-8043.
-
(1999)
J. Am. Chem. Soc
, vol.121
, pp. 8033-8043
-
-
Zou, X.1
Yaxiong, S.2
Kuntz, I.D.3
-
175
-
-
4043171970
-
-
Qiu, D.; Shenkin, P.S.; Hollinger, F.P.; Still, W.C. J. Phys. Chem., 1997, 101, 3005-3014.
-
(1997)
J. Phys. Chem
, vol.101
, pp. 3005-3014
-
-
Qiu, D.1
Shenkin, P.S.2
Hollinger, F.P.3
Still, W.C.4
-
176
-
-
0002636134
-
-
Hawkins, G.D.; Cramer, C.J.; Truhlar, D.G. Chem. Phys. Lett., 1995, 246, 122-129.
-
(1995)
Chem. Phys. Lett
, vol.246
, pp. 122-129
-
-
Hawkins, G.D.1
Cramer, C.J.2
Truhlar, D.G.3
-
180
-
-
0001704085
-
-
Wang, R.; Liu, L.; Lai, L.; Tang, Y. J. Mol. Model., 1998, 4, 379-394.
-
(1998)
J. Mol. Model
, vol.4
, pp. 379-394
-
-
Wang, R.1
Liu, L.2
Lai, L.3
Tang, Y.4
-
182
-
-
0030076041
-
-
Rarey, M.; Wefing, S.; Lengauer, T. J. Comput. Aided Mol. Des., 1996, 10, 41-54.
-
(1996)
J. Comput. Aided Mol. Des
, vol.10
, pp. 41-54
-
-
Rarey, M.1
Wefing, S.2
Lengauer, T.3
-
184
-
-
0032153192
-
-
Murray, C.W.; Auton, T.R.; Eldridge, M.D. J. Comput. Aided Mol. Des., 1998, 12, 503-519.
-
(1998)
J. Comput. Aided Mol. Des
, vol.12
, pp. 503-519
-
-
Murray, C.W.1
Auton, T.R.2
Eldridge, M.D.3
-
186
-
-
0040541621
-
-
Bohm, H.J.; Banner, D.W.; Weber, L. J. Comput. Aided Mol. Des., 1999, 13, 51-56.
-
(1999)
J. Comput. Aided Mol. Des
, vol.13
, pp. 51-56
-
-
Bohm, H.J.1
Banner, D.W.2
Weber, L.3
-
188
-
-
0029995624
-
-
Head, R.D.; Smythe, M.L.; Oprea, T.; Waller, C.L.; Green, S.M.; Marshall, G. 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.3
Waller, C.L.4
Green, S.M.5
Marshall, G.6
-
189
-
-
0031226772
-
-
Eldridge, M.D.; Murray, C.W.; Auton, T.R.; Paolini, G.V.; 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
-
191
-
-
0029294584
-
-
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, 317-324.
-
(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
-
192
-
-
0039012103
-
-
Parrill L, Reddy MR, Ed.; American Chemical Society: Washington, DC
-
Gehlhaar, D.K.; Bouzida, D.; Rejto, P.A. In Rational Drug Design: Novel Methodology and Practical Applications; Parrill L, Reddy MR, Ed.; American Chemical Society: Washington, DC, 1999; pp. 292-311.
-
(1999)
Rational Drug Design: Novel Methodology and Practical Applications
, pp. 292-311
-
-
Gehlhaar, D.K.1
Bouzida, D.2
Rejto, P.A.3
-
193
-
-
84870979066
-
-
The Cerius2 software, A.I
-
The Cerius2 software, A.I.; http://www.accelrys.com/.
-
-
-
-
195
-
-
23844468897
-
-
Mpamhanga, C.P.; Chen, B.; McLay, I.M.; Ormsby, D.L.; Lindvall, M.K. J. Chem. Inf. Model., 2005, 45, 1061-1074.
-
(2005)
J. Chem. Inf. Model
, vol.45
, pp. 1061-1074
-
-
Mpamhanga, C.P.1
Chen, B.2
McLay, I.M.3
Ormsby, D.L.4
Lindvall, M.K.5
-
196
-
-
0026292147
-
-
Kellogg, G.E.; Semus, S.F.; 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
-
197
-
-
0026080846
-
-
Wireko, F.C.; Kellogg, G.E.; 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
-
198
-
-
84986437005
-
-
Mohamadi, F.; Richards, N.G.J.; Guida, W.C.; Liskamp, R.; Lipton, M.; Caufield, C.; Chang, G.; Hendrickson, T.; Still, W.C. J. Comput. Aided Mol. Des., 1990, 11, 440-467.
-
(1990)
J. Comput. Aided Mol. Des
, vol.11
, pp. 440-467
-
-
Mohamadi, F.1
Richards, N.G.J.2
Guida, W.C.3
Liskamp, R.4
Lipton, M.5
Caufield, C.6
Chang, G.7
Hendrickson, T.8
Still, W.C.9
-
199
-
-
3242890959
-
-
E. DC, Ed.; Oxford University Press: New York
-
Marshall, G.; Head, R.D.; Ragno, R. In Thermodynamics in Biology; E. DC, Ed.; Oxford University Press: New York, 2000; pp. 87-111.
-
(2000)
Thermodynamics In Biology
, pp. 87-111
-
-
Marshall, G.1
Head, R.D.2
Ragno, R.3
-
200
-
-
0032961895
-
-
Rarey, M.; Kramer, B.; Lengauer, T. Proteins, 1999, 34, 17-28.
-
(1999)
Proteins
, vol.34
, pp. 17-28
-
-
Rarey, M.1
Kramer, B.2
Lengauer, T.3
-
201
-
-
0031181870
-
-
Rarey, M.; Kramer, B.; Lengauer, T. J. Comput. Aided Mol. Des., 1997, 11, 369-384.
-
(1997)
J. Comput. Aided Mol. Des
, vol.11
, pp. 369-384
-
-
Rarey, M.1
Kramer, B.2
Lengauer, T.3
-
202
-
-
0032950520
-
-
Rarey, M.; Kramer, B.; Lengauer, T. Bioinformatics, 1999, 15, 243-250.
-
(1999)
Bioinformatics
, vol.15
, pp. 243-250
-
-
Rarey, M.1
Kramer, B.2
Lengauer, T.3
-
203
-
-
33646244470
-
-
Kamper, A.; Apostolakis, J.; Rarey, M.; Marian, C.M.; Lengauer, T. J. Chem. Inf. Model., 2006, 46, 903-911.
-
(2006)
J. Chem. Inf. Model
, vol.46
, pp. 903-911
-
-
Kamper, A.1
Apostolakis, J.2
Rarey, M.3
Marian, C.M.4
Lengauer, T.5
-
204
-
-
0032738842
-
-
Kramer, B.; Rarey, M.; Lengauer, T. Proteins, 1999, 37, 228-241.
-
(1999)
Proteins
, vol.37
, pp. 228-241
-
-
Kramer, B.1
Rarey, M.2
Lengauer, T.3
-
207
-
-
0028706933
-
-
Jain, A.N.; Dietterich, T.G.; Lathrop, R.H.; Chapman, D.; Critchlow, R.E. Jr.; Bauer, B.E.; Webster, T.A.; Lozano-Perez, T. J. Comput. Aided Mol. Des., 1994, 8, 635-652.
-
(1994)
J. Comput. Aided Mol. Des
, vol.8
, pp. 635-652
-
-
Jain, A.N.1
Dietterich, T.G.2
Lathrop, R.H.3
Chapman, D.4
Critchlow Jr., R.E.5
Bauer, B.E.6
Webster, T.A.7
Lozano-Perez, T.8
-
208
-
-
0027930292
-
-
Jain, A.N.; Koile, K.; Chapman, D. J. Med. Chem., 1994, 37, 2315-2327.
-
(1994)
J. Med. Chem
, vol.37
, pp. 2315-2327
-
-
Jain, A.N.1
Koile, K.2
Chapman, D.3
-
209
-
-
0028940949
-
-
Jain, A.N.; Harris, N.L.; Park, J.Y. J. Med. Chem., 1995, 38, 1295-1308.
-
(1995)
J. Med. Chem
, vol.38
, pp. 1295-1308
-
-
Jain, A.N.1
Harris, N.L.2
Park, J.Y.3
-
210
-
-
0030154893
-
-
Welch, W.; Ruppert, J.; 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
-
213
-
-
0032533791
-
-
Baxter, C.A.; Murray, C.W.; Clark, D.E.; Westhead, D.R.; 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
-
214
-
-
13944260141
-
-
Kirton, S.B.; Murray, C.W.; Verdonk, M.L.; Taylor, R.D. Proteins, 2005, 58, 836-844.
-
(2005)
Proteins
, vol.58
, pp. 836-844
-
-
Kirton, S.B.1
Murray, C.W.2
Verdonk, M.L.3
Taylor, R.D.4
-
215
-
-
24644481912
-
-
Cotesta, S.; Giordanetto, F.; Trosset, J.Y.; Crivori, P.; Kroemer, R.T.; Stouten, P.F.; Vulpetti, A. Proteins, 2005, 60, 629-643.
-
(2005)
Proteins
, vol.60
, pp. 629-643
-
-
Cotesta, S.1
Giordanetto, F.2
Trosset, J.Y.3
Crivori, P.4
Kroemer, R.T.5
Stouten, P.F.6
Vulpetti, A.7
-
216
-
-
33646107162
-
-
de Graaf, C.; Oostenbrink, C.; Keizers, P.H.; van der Wijst, T.; Jongejan, A.; Vermeulen, N.P. J. Med. Chem., 2006, 49, 2417-2430.
-
(2006)
J. Med. Chem
, vol.49
, pp. 2417-2430
-
-
de Graaf, C.1
Oostenbrink, C.2
Keizers, P.H.3
van der Wijst, T.4
Jongejan, A.5
Vermeulen, N.P.6
-
218
-
-
6344256147
-
-
Hagler, A.T.; Lifson, S.; Dauber, P. J. Am. Chem. Soc., 1979, 101, 5122-5130.
-
(1979)
J. Am. Chem. Soc
, vol.101
, pp. 5122-5130
-
-
Hagler, A.T.1
Lifson, S.2
Dauber, P.3
-
221
-
-
0032190489
-
-
Schnecke, V.; Swanson, C.A.; Getzoff, E.D.; Tainer, J.A.; Kuhn, L.A. Proteins, 1998, 33, 74-87.
-
(1998)
Proteins
, vol.33
, pp. 74-87
-
-
Schnecke, V.1
Swanson, C.A.2
Getzoff, E.D.3
Tainer, J.A.4
Kuhn, L.A.5
-
222
-
-
0029583485
-
-
Kuhn, L.A.; Swanson, C.A.; Pique, M.E.; Tainer, J.A.; Getzoff, E.D. Proteins, 1995, 23, 536-547.
-
(1995)
Proteins
, vol.23
, pp. 536-547
-
-
Kuhn, L.A.1
Swanson, C.A.2
Pique, M.E.3
Tainer, J.A.4
Getzoff, E.D.5
-
224
-
-
0038174853
-
-
Zavodszky, M.I.; Sanschagrin, P.C.; Korde, R.S.; Kuhn, L.A. J. Comput. Aided Mol. Des., 2002, 16, 883-902.
-
(2002)
J. Comput. Aided Mol. Des
, vol.16
, pp. 883-902
-
-
Zavodszky, M.I.1
Sanschagrin, P.C.2
Korde, R.S.3
Kuhn, L.A.4
-
225
-
-
4544310320
-
-
Zavodszky, M.I.; Lei, M.; Thorpe, M.F.; Day, A.R.; Kuhn, L.A. Proteins, 2004, 57, 243-261.
-
(2004)
Proteins
, vol.57
, pp. 243-261
-
-
Zavodszky, M.I.1
Lei, M.2
Thorpe, M.F.3
Day, A.R.4
Kuhn, L.A.5
-
227
-
-
33744488325
-
-
Sukuru, S.C.; Crepin, T.; Milev, Y.; Marsh, L.C.; Hill, J.B.; Anderson, R.J.; Morris, J.C.; Rohatgi, A.; O'Mahony, G.; Grotli, M.; Danel, F.; Page, M.G.; Hartlein, M.; Cusack, S.; Kron, M.A.; Kuhn, L.A. J. Comput. Aided Mol. Des., 2006, 20, 159-178.
-
(2006)
J. Comput. Aided Mol. Des
, vol.20
, pp. 159-178
-
-
Sukuru, S.C.1
Crepin, T.2
Milev, Y.3
Marsh, L.C.4
Hill, J.B.5
Anderson, R.J.6
Morris, J.C.7
Rohatgi, A.8
O'Mahony, G.9
Grotli, M.10
Danel, F.11
Page, M.G.12
Hartlein, M.13
Cusack, S.14
Kron, M.A.15
Kuhn, L.A.16
-
228
-
-
0033523959
-
-
Rognan, D.; Lauemoller, S.L.; Holm, A.; Buus, S.; Tschinke, V. J. Med. Chem., 1999, 42, 4650-4658.
-
(1999)
J. Med. Chem
, vol.42
, pp. 4650-4658
-
-
Rognan, D.1
Lauemoller, S.L.2
Holm, A.3
Buus, S.4
Tschinke, V.5
-
230
-
-
0022964504
-
-
Klapper, I.; Hagstrom, R.; Fine, R.; Sharp, K.; Honig, B. Proteins, 1986, 1, 47-59.
-
(1986)
Proteins
, vol.1
, pp. 47-59
-
-
Klapper, I.1
Hagstrom, R.2
Fine, R.3
Sharp, K.4
Honig, B.5
-
231
-
-
0037235663
-
-
Bissantz, C.; Bernard, P.; Hibert, M.; Rognan, D. Proteins, 2003, 50, 5-25.
-
(2003)
Proteins
, vol.50
, pp. 5-25
-
-
Bissantz, C.1
Bernard, P.2
Hibert, M.3
Rognan, D.4
-
232
-
-
0035848409
-
-
Logean, A.; Sette, A.; Rognan, D. Bioorg. Med. Chem. Lett., 2001, 11, 675-679.
-
(2001)
Bioorg. Med. Chem. Lett
, vol.11
, pp. 675-679
-
-
Logean, A.1
Sette, A.2
Rognan, D.3
-
234
-
-
0034257127
-
-
Kasper, P.; Christen, P.; Gehring, H. Proteins, 2000, 40, 185-192.
-
(2000)
Proteins
, vol.40
, pp. 185-192
-
-
Kasper, P.1
Christen, P.2
Gehring, H.3
-
237
-
-
0036022960
-
-
Wang, R.; Lai, L.; Wang, S. J. Comput. Aided Mol. Des., 2002, 16, 11-26.
-
(2002)
J. Comput. Aided Mol. Des
, vol.16
, pp. 11-26
-
-
Wang, R.1
Lai, L.2
Wang, S.3
-
240
-
-
0346665839
-
-
McGann, M.R.; Almond, H.R.; Nicholls, A.; Grant, J.A.; Brown, F.K. Biopolymers, 2002, 68, 76-90.
-
(2002)
Biopolymers
, vol.68
, pp. 76-90
-
-
McGann, M.R.1
Almond, H.R.2
Nicholls, A.3
Grant, J.A.4
Brown, F.K.5
-
242
-
-
24944433024
-
-
Miteva, M.A.; Lee, W.H.; Montes, M.O.; Villoutreix, B.O. J. Med. Chem., 2005, 48, 6012-6022.
-
(2005)
J. Med. Chem
, vol.48
, pp. 6012-6022
-
-
Miteva, M.A.1
Lee, W.H.2
Montes, M.O.3
Villoutreix, B.O.4
-
246
-
-
12144289984
-
-
Friesner, R.A.; Banks, J.L.; Murphy, R.B.; Halgren, T.A.; Klicic, J.J.; Mainz, D.T.; Repasky, M.P.; Knoll, E.H.; Shelley, M.; Perry, J.K.; Shaw, D.E.; Francis, P.; Shenkin, P.S. J. Med. Chem., 2004, 47, 1739-1749.
-
(2004)
J. Med. Chem
, vol.47
, pp. 1739-1749
-
-
Friesner, R.A.1
Banks, J.L.2
Murphy, R.B.3
Halgren, T.A.4
Klicic, J.J.5
Mainz, D.T.6
Repasky, M.P.7
Knoll, E.H.8
Shelley, M.9
Perry, J.K.10
Shaw, D.E.11
Francis, P.12
Shenkin, P.S.13
-
247
-
-
1642310340
-
-
Halgren, T.A.; Murphy, R.B.; Friesner, R.A.; Beard, H.S.; Frye, L.L.; Pollard, W.T.; Banks, J.L. J. Med. Chem., 2004, 47, 1750-1759.
-
(2004)
J. Med. Chem
, vol.47
, pp. 1750-1759
-
-
Halgren, T.A.1
Murphy, R.B.2
Friesner, R.A.3
Beard, H.S.4
Frye, L.L.5
Pollard, W.T.6
Banks, J.L.7
-
248
-
-
33750124980
-
-
Friesner, R.A.; Murphy, R.B.; Repasky, M.P.; Frye, L.L.; Greenwood, J.R.; Halgren, T.A.; Sanschagrin, P.C.; Mainz, D.T. J. Med. Chem., 2006, 49, 6177-6196.
-
(2006)
J. Med. Chem
, vol.49
, pp. 6177-6196
-
-
Friesner, R.A.1
Murphy, R.B.2
Repasky, M.P.3
Frye, L.L.4
Greenwood, J.R.5
Halgren, T.A.6
Sanschagrin, P.C.7
Mainz, D.T.8
-
249
-
-
15244346501
-
-
Krammer, A.; Kirchhoff, P.D.; Jiang, X.; Venkatachalam, C.M.; Waldman, M. J. Mol. Graph. Model., 2005, 23, 395-407.
-
(2005)
J. Mol. Graph. Model
, vol.23
, pp. 395-407
-
-
Krammer, A.1
Kirchhoff, P.D.2
Jiang, X.3
Venkatachalam, C.M.4
Waldman, M.5
-
252
-
-
0001126839
-
-
Kellogg, G.E.; Joshi, J.S.; Abraham, D.J. Med. Chem. Res., 1992, 1, 444-453.
-
(1992)
Med. Chem. Res
, vol.1
, pp. 444-453
-
-
Kellogg, G.E.1
Joshi, J.S.2
Abraham, D.J.3
-
253
-
-
0035866237
-
-
Burnett, J.C.; Botti, P.; Abraham, D.J.; Kellogg, G.E. Proteins, 2001, 42, 355-377.
-
(2001)
Proteins
, vol.42
, pp. 355-377
-
-
Burnett, J.C.1
Botti, P.2
Abraham, D.J.3
Kellogg, G.E.4
-
255
-
-
0035931347
-
-
Cashman, D.J.; Rife, J.P.; Kellogg, G.E. Bioorg. Med. Chem. Lett., 2001, 11, 119-122.
-
(2001)
Bioorg. Med. Chem. Lett
, vol.11
, pp. 119-122
-
-
Cashman, D.J.1
Rife, J.P.2
Kellogg, G.E.3
-
256
-
-
0037030649
-
-
Cozzini, P.; Fornabaio, M.; Marabotti, A.; Abraham, D.J.; Kellogg, G.E.; Mozzarelli, A. J. Med. Chem., 2002, 45, 2469-2483.
-
(2002)
J. Med. Chem
, vol.45
, pp. 2469-2483
-
-
Cozzini, P.1
Fornabaio, M.2
Marabotti, A.3
Abraham, D.J.4
Kellogg, G.E.5
Mozzarelli, A.6
-
257
-
-
33645106609
-
-
Amadasi, A.; Spyrakis, F.; Cozzini, P.; Abraham, D.J.; Kellogg, G.E.; Mozzarelli, A. J. Mol. Biol., 2006, 358, 289-309.
-
(2006)
J. Mol. Biol
, vol.358
, pp. 289-309
-
-
Amadasi, A.1
Spyrakis, F.2
Cozzini, P.3
Abraham, D.J.4
Kellogg, G.E.5
Mozzarelli, A.6
-
258
-
-
33645909231
-
-
Kellogg, G.E.; Fornabaio, M.; Chen, D.L.; Abraham, D.J.; Spyrakis, F.; Cozzini, P.; Mozzarelli, A. J. Mol. Graph. Model., 2006, 24, 434-439.
-
(2006)
J. Mol. Graph. Model
, vol.24
, pp. 434-439
-
-
Kellogg, G.E.1
Fornabaio, M.2
Chen, D.L.3
Abraham, D.J.4
Spyrakis, F.5
Cozzini, P.6
Mozzarelli, A.7
-
259
-
-
4143121554
-
-
Cozzini, P.; Fornabaio, M.; Marabotti, A.; Abraham, D.J.; Kellogg, G.E. Cur. Med. Chem., 2004, 11, 3093-3118.
-
(2004)
Cur. Med. Chem
, vol.11
, pp. 3093-3118
-
-
Cozzini, P.1
Fornabaio, M.2
Marabotti, A.3
Abraham, D.J.4
Kellogg, G.E.5
-
260
-
-
33645941696
-
-
Kellogg, G.E.; Fornabaio, M.; Chen, D.L.; Abraham, D.J. Internet Electron. J. Mol. Des., 2005, 4, 194-209.
-
(2005)
Internet Electron. J. Mol. Des
, vol.4
, pp. 194-209
-
-
Kellogg, G.E.1
Fornabaio, M.2
Chen, D.L.3
Abraham, D.J.4
-
263
-
-
0027302043
-
-
Ouzounis, C.; Sander, C.; Scharf, M.; Schneider, R. J. Mol. Biol., 1993, 232, 805-825.
-
(1993)
J. Mol. Biol
, vol.232
, pp. 805-825
-
-
Ouzounis, C.1
Sander, C.2
Scharf, M.3
Schneider, R.4
-
264
-
-
0026690571
-
-
Jones, D.T.; Taylor, W.R.; 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
-
266
-
-
0030342727
-
-
Sippl, M.J.; Ortner, M.; Jaritz, M.; Lackner, P.; 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
-
267
-
-
0025830469
-
-
Bowie, J.U.; Luthy, R.; Eisenberg, D. Science, 1991, 253, 164-170.
-
(1991)
Science
, vol.253
, pp. 164-170
-
-
Bowie, J.U.1
Luthy, R.2
Eisenberg, D.3
-
268
-
-
0026726481
-
-
Godzik, A.; Kolinski, A.; Skolnick, J. J. Mol. Biol., 1992, 227, 227-238.
-
(1992)
J. Mol. Biol
, vol.227
, pp. 227-238
-
-
Godzik, A.1
Kolinski, A.2
Skolnick, J.3
-
270
-
-
0028318094
-
-
Kocher, J.P.; Rooman, M.J.; Wodak, S.J. J. Mol. Biol., 1994, 235, 1598-1613.
-
(1994)
J. Mol. Biol
, vol.235
, pp. 1598-1613
-
-
Kocher, J.P.1
Rooman, M.J.2
Wodak, S.J.3
-
273
-
-
2642524483
-
-
Liu, S.; Zhang, C.; Zhou, H.; Zhou, Y. Proteins, 2004, 56, 93-101.
-
(2004)
Proteins
, vol.56
, pp. 93-101
-
-
Liu, S.1
Zhang, C.2
Zhou, H.3
Zhou, Y.4
-
274
-
-
0029119320
-
-
Wallqvist, A.; Jernigan, R.L.; Covell, D.G. Protein Sci., 1995, 4, 1881-1903.
-
(1995)
Protein Sci
, vol.4
, pp. 1881-1903
-
-
Wallqvist, A.1
Jernigan, R.L.2
Covell, D.G.3
-
276
-
-
0031003647
-
-
DeWitte, R.S.; Ishchenko, A.V.; 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
-
277
-
-
0034092711
-
-
Shimada, J.; Ishchenko, A.V.; Shakhnovich, E.I. Protein Sci., 2000, 9, 765-775.
-
(2000)
Protein Sci
, vol.9
, pp. 765-775
-
-
Shimada, J.1
Ishchenko, A.V.2
Shakhnovich, E.I.3
-
281
-
-
0034081944
-
-
Sookhee, H.; Andreani, R.; Robbins, A.; Muegge, I. J. Comput. Aided Mol. Des., 2000, 14, 435-448.
-
(2000)
J. Comput. Aided Mol. Des
, vol.14
, pp. 435-448
-
-
Sookhee, H.1
Andreani, R.2
Robbins, A.3
Muegge, I.4
-
282
-
-
0034081944
-
-
Ha, S.; Andreani, R.; Robbins, A.; 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
-
283
-
-
0033566211
-
-
Muegge, I.; Martin, Y.C.; Hajduk, P.J.; 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
-
284
-
-
33749242403
-
-
Muegge, I. J. Med. Chem., 2006, 49, 5895-5902.
-
(2006)
J. Med. Chem
, vol.49
, pp. 5895-5902
-
-
Muegge, I.1
-
285
-
-
0000823044
-
-
Mitchell, J.B.O.; Laskowski, R.A.; Alex, A.; 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
-
286
-
-
0000882405
-
-
Mitchell, J.B.O.; Laskowski, R.A.; Alex, A.; Forster, M.J.; Thornton, J.M. J. Comput. Chem., 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
-
288
-
-
0037046545
-
-
Sotriffer, C.A.; Gohlke, H.; Klebe, G. J. Med. Chem., 2002, 45, 1967-1970.
-
(2002)
J. Med. Chem
, vol.45
, pp. 1967-1970
-
-
Sotriffer, C.A.1
Gohlke, H.2
Klebe, G.3
-
290
-
-
0242301182
-
-
Evers, A.; Gohlke, H.; Klebe, G. J. Mol. Biol., 2003, 334, 327-345.
-
(2003)
J. Mol. Biol
, vol.334
, pp. 327-345
-
-
Evers, A.1
Gohlke, H.2
Klebe, G.3
-
291
-
-
33244478322
-
-
Oda, A.; Tsuchida, K.; Takakura, T.; Yamaotsu, N.; Hirono, S. J. Chem. Inf. Model., 2006, 46, 380-391.
-
(2006)
J. Chem. Inf. Model
, vol.46
, pp. 380-391
-
-
Oda, A.1
Tsuchida, K.2
Takakura, T.3
Yamaotsu, N.4
Hirono, S.5
-
292
-
-
0842332235
-
-
Hu, X.; Balaz, S.; Shelver, W.H. J. Mol. Graph. Model., 2004, 22, 293-307.
-
(2004)
J. Mol. Graph. Model
, vol.22
, pp. 293-307
-
-
Hu, X.1
Balaz, S.2
Shelver, W.H.3
-
293
-
-
26444588137
-
-
Velec, H.F.; Gohlke, H.; Klebe, G. J. Med. Chem., 2005, 48, 6296-6303.
-
(2005)
J. Med. Chem
, vol.48
, pp. 6296-6303
-
-
Velec, H.F.1
Gohlke, H.2
Klebe, G.3
-
295
-
-
84871031666
-
-
Klebe, G. J. Mol. Biol., 1994, 237, 215-235.
-
(1994)
J. Mol. Biol
, vol.237
, pp. 215-235
-
-
Klebe, G.1
-
296
-
-
0031261930
-
-
Bruno, I.J.; Cole, J.C.; Lommerse, J.P.; Rowland, R.S.; Taylor, R.; Verdonk, M.L. J. Comput. Aided Mol. Des., 1997, 11, 525-537.
-
(1997)
J. Comput. Aided Mol. Des
, vol.11
, pp. 525-537
-
-
Bruno, I.J.1
Cole, J.C.2
Lommerse, J.P.3
Rowland, R.S.4
Taylor, R.5
Verdonk, M.L.6
-
297
-
-
0242417008
-
-
Meyer, E.A.; Castellano, R.K.; Diederich, F. Angew. Chem. Int. Ed. Engl., 2003, 42, 1210-1250.
-
(2003)
Angew. Chem. Int. Ed. Engl
, vol.42
, pp. 1210-1250
-
-
Meyer, E.A.1
Castellano, R.K.2
Diederich, F.3
-
300
-
-
17144383951
-
-
Zhang, C.; Liu, S.; Zhu, Q.; Zhou, Y. J. Med. Chem., 2005, 48, 2325-2335.
-
(2005)
J. Med. Chem
, vol.48
, pp. 2325-2335
-
-
Zhang, C.1
Liu, S.2
Zhu, Q.3
Zhou, Y.4
-
301
-
-
23144454057
-
-
Zhou, H.; Zhang, C.; Liu, S.; Zhou, Y. Nucleic Acids Res., 2005, 33, W193-197.
-
(2005)
Nucleic Acids Res
, vol.33
, pp. 193-197
-
-
Zhou, H.1
Zhang, C.2
Liu, S.3
Zhou, Y.4
-
302
-
-
21644446565
-
-
Zhang, C.; Liu, S.; Zhou, Y. Proteins, 2005, 60, 314-318.
-
(2005)
Proteins
, vol.60
, pp. 314-318
-
-
Zhang, C.1
Liu, S.2
Zhou, Y.3
-
304
-
-
33748448474
-
-
Li, H. Proteins, 2006, 64, 985-991.
-
(2006)
Proteins
, vol.64
, pp. 985-991
-
-
Li, H.1
-
305
-
-
33749037718
-
-
Zhu, J.; Xie, L.; Honig, B. Proteins, 2006, 65, 463-479.
-
(2006)
Proteins
, vol.65
, pp. 463-479
-
-
Zhu, J.1
Xie, L.2
Honig, B.3
-
306
-
-
33749234779
-
-
Zhou, Y.; Zhou, H.; Zhang, C.; Liu, S. Cell Biochem. Biophys., 2006, 46, 165-174.
-
(2006)
Cell Biochem. Biophys
, vol.46
, pp. 165-174
-
-
Zhou, Y.1
Zhou, H.2
Zhang, C.3
Liu, S.4
-
310
-
-
20444422149
-
-
Wang, R.; Fang, X.; Lu, Y.; Yang, C.Y.; Wang, S. J. Med. Chem., 2005, 48, 4111-4119.
-
(2005)
J. Med. Chem
, vol.48
, pp. 4111-4119
-
-
Wang, R.1
Fang, X.2
Lu, Y.3
Yang, C.Y.4
Wang, S.5
-
311
-
-
33749239216
-
-
Yang, C.Y.; Wang, R.; Wang, S. J. Med. Chem., 2006, 49, 5903-5911.
-
(2006)
J. Med. Chem
, vol.49
, pp. 5903-5911
-
-
Yang, C.Y.1
Wang, R.2
Wang, S.3
-
312
-
-
4744365803
-
-
Ferrari, A.M.; Wei, B.Q.; Costantino, L.; Shoichet, B.K. J. Med. Chem., 2004, 47, 5076-5084.
-
(2004)
J. Med. Chem
, vol.47
, pp. 5076-5084
-
-
Ferrari, A.M.1
Wei, B.Q.2
Costantino, L.3
Shoichet, B.K.4
-
314
-
-
0032939345
-
-
Shoichet, B.K.; Leach, A.R.; Kuntz, I.D. Proteins, 1999, 34, 4-16.
-
(1999)
Proteins
, vol.34
, pp. 4-16
-
-
Shoichet, B.K.1
Leach, A.R.2
Kuntz, I.D.3
-
315
-
-
0036137713
-
-
Osterberg, F.; Morris, G.M.; Sanner, M.F.; Olson, A.J.; Goodsell, D.S. Proteins, 2002, 46, 34-40.
-
(2002)
Proteins
, vol.46
, pp. 34-40
-
-
Osterberg, F.1
Morris, G.M.2
Sanner, M.F.3
Olson, A.J.4
Goodsell, D.S.5
-
316
-
-
0035811458
-
-
Terp, G.E.; Johansen, B.N.; Christensen, I.T.; Jorgensen, F.S. J. Med. Chem., 2001, 44, 2333-2343.
-
(2001)
J. Med. Chem
, vol.44
, pp. 2333-2343
-
-
Terp, G.E.1
Johansen, B.N.2
Christensen, I.T.3
Jorgensen, F.S.4
-
318
-
-
0037363598
-
-
Wilton, D.; Willett, P.; Lawson, K.; Mullier, G. J. Chem. Inf. Comput. Sci., 2003, 43, 469-474.
-
(2003)
J. Chem. Inf. Comput. Sci
, vol.43
, pp. 469-474
-
-
Wilton, D.1
Willett, P.2
Lawson, K.3
Mullier, G.4
-
319
-
-
29044433371
-
-
Krovat, E.; Steindl, T.; Langer, T. Curr. Comput. Aided Drug Des., 2005, 1, 93-102.
-
(2005)
Curr. Comput. Aided Drug Des
, vol.1
, pp. 93-102
-
-
Krovat, E.1
Steindl, T.2
Langer, T.3
-
320
-
-
0033576680
-
-
Charifson, P.S.; Corkery, J.J.; Murcko, M.A.; Walters, W.P. J. Med. Chem., 1999, 42, 5100-5109.
-
(1999)
J. Med. Chem
, vol.42
, pp. 5100-5109
-
-
Charifson, P.S.1
Corkery, J.J.2
Murcko, M.A.3
Walters, W.P.4
-
321
-
-
8844263008
-
-
Kitchen, D.B.; Decornez, H.; Furr, J.R.; Bajorath, J. Nat. Rev. Drug Discov., 2004, 3, 935-949.
-
(2004)
Nat. Rev. Drug Discov
, vol.3
, pp. 935-949
-
-
Kitchen, D.B.1
Decornez, H.2
Furr, J.R.3
Bajorath, J.4
-
323
-
-
0027379219
-
-
Meng, E.C.; Gschwend, D.A.; Blaney, J.M.; Kuntz, I.D. Proteins, 1993, 17, 266-278.
-
(1993)
Proteins
, vol.17
, pp. 266-278
-
-
Meng, E.C.1
Gschwend, D.A.2
Blaney, J.M.3
Kuntz, I.D.4
-
324
-
-
3042806401
-
-
Perola, E.; Walters, W.P.; Charifson, P.S. Proteins, 2004, 56, 235-249.
-
(2004)
Proteins
, vol.56
, pp. 235-249
-
-
Perola, E.1
Walters, W.P.2
Charifson, P.S.3
-
325
-
-
0041781898
-
-
Wu, G.; Robertson, D.H.; Brooks, C.L. 3rd, Vieth, M. J. Comput. Chem., 2003, 24, 1549-1562.
-
(2003)
J. Comput. Chem
, vol.24
, pp. 1549-1562
-
-
Wu, G.1
Robertson, D.H.2
Brooks III, C.L.3
Vieth, M.4
-
326
-
-
0036136868
-
-
Clark, R.D.; Strizhev, A.; Leonard, J.M.; Blake, J.F.; Matthew, J.B. J. Mol. Graph. Model., 2002, 20, 281-295.
-
(2002)
J. Mol. Graph. Model
, vol.20
, pp. 281-295
-
-
Clark, R.D.1
Strizhev, A.2
Leonard, J.M.3
Blake, J.F.4
Matthew, J.B.5
-
327
-
-
0037212102
-
-
Venkatachalam, C.M.; Jiang, X.; Oldfield, T.; Waldman, M. J. Mol. Graph. Model., 2003, 21, 289-307.
-
(2003)
J. Mol. Graph. Model
, vol.21
, pp. 289-307
-
-
Venkatachalam, C.M.1
Jiang, X.2
Oldfield, T.3
Waldman, M.4
-
331
-
-
0346996357
-
-
Jacobsson, M.; Liden, P.; Stjernschantz, E.; Bostrom, H.; Norinder, U. J. Med. Chem., 2003, 46, 5781-5789.
-
(2003)
J. Med. Chem
, vol.46
, pp. 5781-5789
-
-
Jacobsson, M.1
Liden, P.2
Stjernschantz, E.3
Bostrom, H.4
Norinder, U.5
-
332
-
-
4143132047
-
-
Klon, A.E.; Glick, M.; Davies, J.W. J. Med. Chem., 2004, 47, 4356-4359.
-
(2004)
J. Med. Chem
, vol.47
, pp. 4356-4359
-
-
Klon, A.E.1
Glick, M.2
Davies, J.W.3
-
333
-
-
33746867935
-
-
Betzi, S.; Suhre, K.; Chetrit, B.; Guerlesquin, F.; Morelli, X. J. Chem. Inf. Model., 2006, 46, 1704-1712.
-
(2006)
J. Chem. Inf. Model
, vol.46
, pp. 1704-1712
-
-
Betzi, S.1
Suhre, K.2
Chetrit, B.3
Guerlesquin, F.4
Morelli, X.5
-
335
-
-
16644376474
-
-
Xing, L.; Hodgkin, E.; Liu, Q.; Sedlock, D. J. Comput. Aided Mol. Des., 2004, 18, 333-344.
-
(2004)
J. Comput. Aided Mol. Des
, vol.18
, pp. 333-344
-
-
Xing, L.1
Hodgkin, E.2
Liu, Q.3
Sedlock, D.4
-
336
-
-
23844555629
-
-
Yang, J.M.; Chen, Y.F.; Shen, T.W.; Kristal, B.S.; Hsu, D.F. J. Chem. Inf. Model., 2005, 45, 1134-1146.
-
(2005)
J. Chem. Inf. Model
, vol.45
, pp. 1134-1146
-
-
Yang, J.M.1
Chen, Y.F.2
Shen, T.W.3
Kristal, B.S.4
Hsu, D.F.5
-
337
-
-
0037103119
-
-
Gruneberg, S.; Stubbs, M.T.; Klebe, G. J. Med. Chem., 2002, 45, 3588-3602.
-
(2002)
J. Med. Chem
, vol.45
, pp. 3588-3602
-
-
Gruneberg, S.1
Stubbs, M.T.2
Klebe, G.3
-
338
-
-
1842450527
-
-
Lyne, P.D.; Kenny, P.W.; Cosgrove, D.A.; Deng, C.; Zabludoff, S.; Wendoloski, J.J.; Ashwell, S. J. Med. Chem., 2004, 47, 1962-1968.
-
(2004)
J. Med. Chem
, vol.47
, pp. 1962-1968
-
-
Lyne, P.D.1
Kenny, P.W.2
Cosgrove, D.A.3
Deng, C.4
Zabludoff, S.5
Wendoloski, J.J.6
Ashwell, S.7
-
339
-
-
13944253576
-
-
Mozziconacci, J.C.; Arnoult, E.; Bernard, P.; Do, Q.T.; Marot, C.; Morin-Allory, L. J. Med. Chem., 2005, 48, 1055-1068.
-
(2005)
J. Med. Chem
, vol.48
, pp. 1055-1068
-
-
Mozziconacci, J.C.1
Arnoult, E.2
Bernard, P.3
Do, Q.T.4
Marot, C.5
Morin-Allory, L.6
-
340
-
-
13844316622
-
-
Liu, Z.; Huang, C.; Fan, K.; Wei, P.; Chen, H.; Liu, S.; Pei, J.; Shi, L.; Li, B.; Yang, K.; Liu, Y.; Lai, L. J. Chem. Inf. Model., 2005, 45, 10-17.
-
(2005)
J. Chem. Inf. Model
, vol.45
, pp. 10-17
-
-
Liu, Z.1
Huang, C.2
Fan, K.3
Wei, P.4
Chen, H.5
Liu, S.6
Pei, J.7
Shi, L.8
Li, B.9
Yang, K.10
Liu, Y.11
Lai, L.12
-
341
-
-
32844458547
-
-
Li, J.; Chen, J.; Gui, C.; Zhang, L.; Qin, Y.; Xu, Q.; Zhang, J.; Liu, H.; Shen, X.; Jiang, H. Bioorg. Med. Chem., 2006, 14, 2209-2224.
-
(2006)
Bioorg. Med. Chem
, vol.14
, pp. 2209-2224
-
-
Li, J.1
Chen, J.2
Gui, C.3
Zhang, L.4
Qin, Y.5
Xu, Q.6
Zhang, J.7
Liu, H.8
Shen, X.9
Jiang, H.10
-
342
-
-
0033670301
-
-
Verkhivker, G.M.; Bouzida, D.; Gehlhaar, D.K.; Rejto, P.A.; Arthurs, S.; Colson, A.B.; Freer, S.T.; Larson, V.; Luty, B.A.; Marrone, T.; Rose, P.W. J. Comput. Aided Mol. Des., 2000, 14, 731-751.
-
(2000)
J. Comput. Aided Mol. Des
, vol.14
, pp. 731-751
-
-
Verkhivker, G.M.1
Bouzida, D.2
Gehlhaar, D.K.3
Rejto, P.A.4
Arthurs, S.5
Colson, A.B.6
Freer, S.T.7
Larson, V.8
Luty, B.A.9
Marrone, T.10
Rose, P.W.11
-
343
-
-
0001027207
-
-
Martin, E.J.; Critchlow, R.E.; Spellmeyer, D.C.; Rosenberg, S.; Spear, K.L.; Blaney, J.M. Pharmacochem. Libr., 1998, 29, 133-146.
-
(1998)
Pharmacochem. Libr
, vol.29
, pp. 133-146
-
-
Martin, E.J.1
Critchlow, R.E.2
Spellmeyer, D.C.3
Rosenberg, S.4
Spear, K.L.5
Blaney, J.M.6
-
344
-
-
0032196541
-
-
Sun, Y.; Ewing, T.J.A.; Skillman, A.G.; Kuntz, I.D. J. Comput. Aided Mol. Des., 1998, 12, 597-604.
-
(1998)
J. Comput. Aided Mol. Des
, vol.12
, pp. 597-604
-
-
Sun, Y.1
Ewing, T.J.A.2
Skillman, A.G.3
Kuntz, I.D.4
|