-
2
-
-
35748959344
-
-
T. Polgar, D. K. Menyhard, G. M. Keseru, J. Comput. Aided Mol. Des. 2007, 21, 539.
-
(2007)
J. Comput. Aided Mol. Des.
, vol.21
, pp. 539
-
-
Polgar, T.1
Menyhard, D.K.2
Keseru, G.M.3
-
3
-
-
35848962545
-
-
A. J. S. Knox, M. J. Meegan, V. Sobolev, D. Frost, D. M. Zisterer, D. C. Williams, D. G. Lloyd, J. Med. Chem. 2007, 50, 5301.
-
(2007)
J. Med. Chem.
, vol.50
, pp. 5301
-
-
Knox, A.J.S.1
Meegan, M.J.2
Sobolev, V.3
Frost, D.4
Zisterer, D.M.5
Williams, D.C.6
Lloyd, D.G.7
-
8
-
-
33645742984
-
-
P. E. Blower, K. P. Cross, G. S. Eichler, G. J. Myatt, J. N. Weinstein, C. Yang, Comb. Chem. High Throughput Screen. 2006, 9, 115
-
(2006)
Comb. Chem. High Throughput Screen
, vol.9
, pp. 115
-
-
Blower, P.E.1
Cross, K.P.2
Eichler, G.S.3
Myatt, G.J.4
Weinstein, J.N.5
Yang, C.6
-
9
-
-
0033303258
-
-
D. K. Jones-Hertzog, P. Mukhopadhyay, C. E. Keefer, S. S. Young, J. Pharmacol. Toxicol. Meth. 1999, 42, 207.
-
(1999)
J. Pharmacol. Toxicol. Meth.
, vol.42
, pp. 207
-
-
Jones-Hertzog, D.K.1
Mukhopadhyay, P.2
Keefer, C.E.3
Young, S.S.4
-
10
-
-
0346731234
-
-
W. B. Floriano, N. Vaidehi, G. Zamanakos, W. A. Goddard, J. Med. Chem. 2004, 47, 56
-
(2004)
J. Med. Chem.
, vol.47
, pp. 56
-
-
Floriano, W.B.1
Vaidehi, N.2
Zamanakos, G.3
Goddard, W.A.4
-
11
-
-
17144414125
-
-
J. Wang, X. Kang, I. D. Kuntz, P. A. Kollman, J. Med. Chem. 2005, 48, 2432.
-
(2005)
J. Med. Chem.
, vol.48
, pp. 2432
-
-
-
12
-
-
1642540577
-
-
M. Kontoyianni, L. M. McClellan, G. S. Sokol, J. Med. Chem. 2004, 47, 558.
-
(2004)
J. Med. Chem.
, vol.47
, pp. 558
-
-
Kontoyianni, M.1
McClellan, L.M.2
Sokol, G.S.3
-
13
-
-
24944433024
-
-
M. A. Miteva, W. H. Lee, M. O. Montes, B. O. Villoutreix, J. Med. Chem. 2005, 48, 6012.
-
(2005)
J. Med. Chem.
, vol.48
, pp. 6012
-
-
Miteva, M.A.1
Lee, W.H.2
Montes, M.O.3
Villoutreix, B.O.4
-
14
-
-
0020491251
-
-
I. D. Kuntz, J. M. Blaney, S. J. Oatley, R. Langridge, T. E. Ferrin, J. Mol. Biol. 1982, 161, 269.
-
(1982)
J. Mol. Biol.
, vol.161
, pp. 269
-
-
Kuntz, I.D.1
Blaney, J.M.2
Oatley, S.J.3
Langridge, R.4
Ferrin, T.E.5
-
16
-
-
0037423637
-
-
E. Margeat, A. Bourdoncle, R. Margueron, N. Poujol, V. Cavailles, C. Royer, J. Mol. Biol. 2003, 326, 77.
-
(2003)
J. Mol. Biol.
, vol.326
, pp. 77
-
-
Margeat, E.1
Bourdoncle, A.2
Margueron, R.3
Poujol, N.4
Cavailles, V.5
Royer, C.6
-
18
-
-
33646129245
-
-
E. A. Ariazi, J. L. Ariazi, F. Cordera, V. C. Jordan, Curr. Top. Med. Chem. 2006, 6, 181.
-
(2006)
Curr. Top. Med. Chem.
, vol.6
, pp. 181
-
-
Ariazi, E.A.1
Ariazi, J.L.2
Cordera, F.3
Jordan, V.C.4
-
19
-
-
85161730539
-
-
MOE, 2007.09 ed., distributed by Chemical Computing Group, Montreal, Canada
-
MOE, 2007.09 ed., distributed by Chemical Computing Group, URL: http://www.chemcomp.com, Montreal, Canada.
-
-
-
-
20
-
-
85161745864
-
-
CORINA, 3.4 ed., distributed by Molecular Networks GmbH, Erlangen, Germany
-
CORINA, 3.4 ed., distributed by Molecular Networks GmbH, URL: http://www.molecular-networks.com, Erlangen, Germany.
-
-
-
-
21
-
-
85161735677
-
-
SMILES, Daylight Chemical Informations Systems Inc., Aliso Viejo, California
-
SMILES, Daylight Chemical Informations Systems Inc., URL: http://www.daylight.com, Aliso Viejo, California.
-
-
-
-
22
-
-
85161731965
-
-
OMEGA, 2.2.1 ed., distributed by Openeye Scientific Software, Santa Fe, New Mexico
-
OMEGA, 2.2.1 ed., distributed by Openeye Scientific Software, URL:http://www.eyesopen.com, Santa Fe, New Mexico.
-
Santa Fe, New Mexico
-
-
-
23
-
-
85161741432
-
-
ROCS, distributed by Openeye Scientific Software, Santa Fe, New Mexico, 2.2
-
ROCS, distributed by Openeye Scientific Software, URL: http://www.eyesopen.com, Santa Fe, New Mexico, 2.2.
-
-
-
-
24
-
-
85161733282
-
-
FRED, 2.2.2 ed., distributed by Openeye Scientific Software Inc, Santa Fe, New Mexico
-
FRED, 2.2.2 ed., distributed by Openeye Scientific Software Inc, URL: http://www.eyesopen.com, Santa Fe, New Mexico.
-
-
-
-
25
-
-
0033954256
-
-
H. M. Berman, J. Westbrook, Z. Feng, G. Gilliland, T. N. Bhat, H. Weissig, I. N. Shindyalov, P. E. Bourne, Nucleic Acids Res. 2000, 28, 235.
-
(2000)
Nucleic Acids Res.
, vol.28
, pp. 235
-
-
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
-
26
-
-
28944437859
-
-
A. J. Knox, M. J. Meegan, G. Carta, D. G. Lloyd, J. Chem. Inf. Model. 2005, 45, 1908.
-
(2005)
J. Chem. Inf. Model.
, vol.45
, pp. 1908
-
-
Knox, A.J.1
Meegan, M.J.2
Carta, G.3
Lloyd, D.G.4
-
27
-
-
0032446607
-
-
A. K. Shiau, D. Barstad, P. M. Loria, L. Cheng, P. J. Kushner, D. A. Agard, G. L. Greene, Cell 1998, 95, 927.
-
(1998)
Cell
, vol.95
, pp. 927
-
-
Shiau, A.K.1
Barstad, D.2
Loria, P.M.3
Cheng, L.4
Kushner, P.J.5
Agard, D.A.6
Greene, G.L.7
-
28
-
-
0038798608
-
-
J. Renaud, S. F. Bischoff, T. Buhl, P. Floersheim, B. Fournier, C. Halleux, J. Kallen, H. Keller, J. M. Schlaeppi, W. Stark, J. Med. Chem. 2003, 46, 2945.
-
(2003)
J. Med. Chem.
, vol.46
, pp. 2945
-
-
Renaud, J.1
Bischoff, S.F.2
Buhl, T.3
Floersheim, P.4
Fournier, B.5
Halleux, C.6
Kallen, J.7
Keller, H.8
Schlaeppi, J.M.9
Stark, W.10
-
29
-
-
0030667676
-
-
A. M. Brzozowski, A. C. Pike, Z. Dauter, R. E. Hubbard, T. Bonn, O. Engstrom, L. Ohman, G. L. Greene, J. A. Gustafsson, M. Carlquist, Nature 1997, 389, 753.
-
(1997)
Nature
, vol.389
, pp. 753
-
-
Brzozowski, A.M.1
Pike, A.C.2
Dauter, Z.3
Hubbard, R.E.4
Bonn, T.5
Engstrom, O.6
Ohman, L.7
Greene, G.L.8
Gustafsson, J.A.9
Carlquist, M.10
-
30
-
-
2942532422
-
-
J. Wang, R. M. Wolf, J. W. Caldwell, P. A. Kollman, D. A. Case, J. Comput. Chem. 2004, 25, 1157.
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1157
-
-
Wang, J.1
Wolf, R.M.2
Caldwell, J.W.3
Kollman, P.A.4
Case, D.A.5
-
31
-
-
20444381685
-
-
A. T. Garcia-Sosa, S. Firth-Clark, R. L. Mancera, J. Chem. Inf. Model. 2005, 45, 624
-
(2005)
J. Chem. Inf. Model.
, vol.45
, pp. 624
-
-
Garcia-Sosa, A.T.1
Firth-Clark, S.2
Mancera, R.L.3
-
32
-
-
4344593122
-
-
D. G. Lloyd, A. T. Garcia-Sosa, I. L. Alberts, N. P. Todorov, R. L. Manceral, J. Comput. Aided Mol. Des. 2004, 18, 89.
-
(2004)
J. Comput. Aided Mol. Des.
, vol.18
, pp. 89
-
-
Lloyd, D.G.1
Garcia-Sosa, A.T.2
Alberts, I.L.3
Todorov, N.P.4
Manceral, R.L.5
-
33
-
-
85161761274
-
-
Python, 2.4 ed.
-
Python, 2.4 ed., URL: http://www.python.org.
-
-
-
-
34
-
-
85161763932
-
-
MySQL, 5.0.45 ed.
-
MySQL, 5.0.45 ed., URL: http://www.mysql.com.
-
-
-
-
35
-
-
85161793963
-
-
MySQL-python, 1.2.2 ed.
-
MySQL-python, 1.2.2 ed., URL: http://mysql-python.sourceforge. net
-
-
-
-
36
-
-
85161785742
-
-
OpenMPI, 1.2.8 ed.
-
OpenMPI, 1.2.8 ed., URL: http://www.open-mpi.orf.
-
-
-
-
37
-
-
85161779124
-
-
mpi4py, 1.0.0 ed.
-
mpi4py, 1.0.0 ed., URL: http://mpi4py.scipy.org.
-
-
-
-
38
-
-
85161751096
-
-
Jmol, 11.7 ed.
-
Jmol, 11.7 ed., URL: http://jmol.sourceforge.net.
-
-
-
-
39
-
-
85161794320
-
-
gnuplot, 4.2.5 ed.
-
gnuplot, 4.2.5 ed., URL: http://www.gnuplot.info.
-
-
-
-
40
-
-
85161757872
-
-
gnuplot-py, 1.8 ed.
-
gnuplot-py, 1.8 ed., URL: http://gnuplot-py.sourceforge.net.
-
-
-
-
41
-
-
2942721004
-
-
M. L. Verdonk, V. Berdini, M. J. Hartshorn, W. T. Mooij, C. W. Murray, R. D. Taylor, P. Watson, J. Chem. Inf. Comput. Sci. 2004, 44, 793
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 793
-
-
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
-
42
-
-
23844555629
-
-
J. M. Yang, Y. F. Chen, T. W. Shen, B. S. Kristal, D. F. Hsu, J. Chem. Inf. Model. 2005, 45, 1134.
-
(2005)
J. Chem. Inf. Model.
, vol.45
, pp. 1134
-
-
Yang, J.M.1
Chen, Y.F.2
Shen, T.W.3
Kristal, B.S.4
Hsu, D.F.5
-
44
-
-
33750991346
-
-
N. Huang, B. K. Shoichet, J. J. Irwin, J. Med. Chem. 2006, 49, 6789.
-
(2006)
J. Med. Chem.
, vol.49
, pp. 6789
-
-
Huang, N.1
Shoichet, B.K.2
Irwin, J.J.3
-
45
-
-
41349110382
-
-
P. C. Hawkins, G. L. Warren, A. G. Skillman, A. Nicholls, J. Comput. Aided Mol. Des. 2008, 22, 179.
-
(2008)
J. Comput. Aided Mol. Des.
, vol.22
, pp. 179
-
-
Hawkins, P.C.1
Warren, G.L.2
Skillman, A.G.3
Nicholls, A.4
-
46
-
-
85161757826
-
-
ZINC, Zinc is not commercial.
-
ZINC, Zinc is not commercial, URL:http://zinc.docking.org.
-
-
-
-
47
-
-
85161775070
-
-
SPECS
-
SPECS, URL: http: www.specs.net.
-
-
-
-
48
-
-
85161790634
-
-
Invitrogen, Carlsbad, California
-
Invitrogen, URL: http://www.invitrogen.com, Carlsbad, California.
-
-
-
|