-
6
-
-
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
-
7
-
-
0000304948
-
-
Tannor, D. J.; Marten, B.; Murphy, R.; Friesner, R.; Sitkoff, D.; Nicholls, A.; Ringalda, M.; Goddard, W. A. I.; Honig, B. J. Am. Chem. Soc. 1994, 116, 11875.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 11875
-
-
Tannor, D.J.1
Marten, B.2
Murphy, R.3
Friesner, R.4
Sitkoff, D.5
Nicholls, A.6
Ringalda, M.7
Goddard, W.A.I.8
Honig, B.9
-
9
-
-
1242346370
-
-
Berendsen, H. J. C.; Grigera, J. R.; Straalsma, T. P. J. Phys. Chem. 1987, 91, 6269-6271.
-
(1987)
J. Phys. Chem.
, vol.91
, pp. 6269-6271
-
-
Berendsen, H.J.C.1
Grigera, J.R.2
Straalsma, T.P.3
-
10
-
-
0004016501
-
-
Jorgenson, W. L.; Chandrasekhar, J.; Madura, J. D ; Impey, R. Klein, M. J. Chem. Phys. 1984, 79, 926-935.
-
(1984)
J. Chem. Phys.
, vol.79
, pp. 926-935
-
-
Jorgenson, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.4
Klein, M.5
-
11
-
-
85034139327
-
-
Wilson, S. R., Wilson, S. R., Czarnick, A. W.,Eds.; John Wiley: New York, 1997; pp 1-23
-
Wilson, S. R., Wilson, S. R., Czarnick, A. W.,Eds.; John Wiley: New York, 1997; pp 1-23.
-
-
-
-
12
-
-
0000512227
-
-
Armstrong, R. W.; Combs, A. P.; Tempest, P. A.; Brown, S. D.; Keating, T. A. Acc. Chem. Res. 1996, 29, 123-131.
-
(1996)
Acc. Chem. Res.
, vol.29
, pp. 123-131
-
-
Armstrong, R.W.1
Combs, A.P.2
Tempest, P.A.3
Brown, S.D.4
Keating, T.A.5
-
13
-
-
85034155016
-
-
Parrill, A., Reddy, M. R., Eds.; American Chemical Society: Washington, DC, (in press)
-
Ghose, A. K.; Viswanadhan, V. N.; Wendoloski, J. J. In Rational Drug Design: Parrill, A., Reddy, M. R., Eds.; American Chemical Society: Washington, DC, 1998 (in press).
-
(1998)
Rational Drug Design
-
-
Ghose, A.K.1
Viswanadhan, V.N.2
Wendoloski, J.J.3
-
15
-
-
0026352974
-
-
Bodor, N.; Harget, A.; Huang, M.-J. J. Am. Chem. Soc. 1991, 113, 9480-9483.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 9480-9483
-
-
Bodor, N.1
Harget, A.2
Huang, M.-J.3
-
16
-
-
0003415339
-
-
Marcel Dekker: New York, Basel, and Hong Kong
-
Yalkowsky, S. H.; Banerjee. S. Aqueous solubility, methods of estimation for organic compounds; Marcel Dekker: New York, Basel, and Hong Kong, 1992.
-
(1992)
Aqueous Solubility, Methods of Estimation for Organic Compounds
-
-
Yalkowsky, S.H.1
Banerjee, S.2
-
17
-
-
0026914713
-
-
Klopman, G.; Wang, S.; Balthasar, D. M. J. Chem. Inf. Comput. Sci. 1992, 32, 474-482.
-
(1992)
J. Chem. Inf. Comput. Sci.
, vol.32
, pp. 474-482
-
-
Klopman, G.1
Wang, S.2
Balthasar, D.M.3
-
19
-
-
0024716284
-
-
Viswanadhan, V. N.; Chose, A. K.; Revankar, G. R.; Robins, R. K. J. Chem. Inf. Comput. Sci. 1989, 29, 163-172.
-
(1989)
J. Chem. Inf. Comput. Sci.
, vol.29
, pp. 163-172
-
-
Viswanadhan, V.N.1
Chose, A.K.2
Revankar, G.R.3
Robins, R.K.4
-
20
-
-
0000381930
-
-
Ghose, A. K.; Viswanadhan, V. N.; Wendoloski, J. J. Phys. Chem. 1998, 102, 3762-3772.
-
(1998)
J. Phys. Chem.
, vol.102
, pp. 3762-3772
-
-
Ghose, A.K.1
Viswanadhan, V.N.2
Wendoloski, J.3
-
21
-
-
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
-
24
-
-
0028932897
-
-
Ghose, A. K.; Logan, M. E.; Treasurywala, A. M.; Wang, H.; Wahl, R. C.; Tomczuk, B.; Gowravaram, M.; Jaeger, E. P.; Wendoloski, J. J. J. Am. Chem. Soc. 1995, 117, 4671-4682.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 4671-4682
-
-
Ghose, A.K.1
Logan, M.E.2
Treasurywala, A.M.3
Wang, H.4
Wahl, R.C.5
Tomczuk, B.6
Gowravaram, M.7
Jaeger, E.P.8
Wendoloski, J.J.9
-
27
-
-
85034149995
-
-
Molecular Design Ltd.: San Leandro, CA
-
MACCS-II and ISIS Software; Molecular Design Ltd.: San Leandro, CA, 1998.
-
(1998)
MACCS-II and ISIS Software
-
-
-
29
-
-
85034145740
-
-
Tripos Associates: St. Louis, MO
-
(a) Unity Reference Manual; Tripos Associates: St. Louis, MO, 1998.
-
(1998)
Unity Reference Manual
-
-
-
31
-
-
84986437005
-
-
Mohamadi, F.; Richards, N. G. J.; Guida, W. C.; Liskamp, R.; Lipton, M.; Caufield, C.; Chang, G.; Hendrickson, T. J. Comput. Chem. 1990, 11, 440-467.
-
(1990)
J. Comput. Chem.
, 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
-
33
-
-
0001886802
-
-
Abramovitz, M., Stegun, I. A., Eds.; Dover: New York
-
Zelen, M.; Severo, N. C.; Abramovitz, M.; Stegun, I. A. In Handbook of Mathematical Functions; Abramovitz, M., Stegun, I. A., Eds.; Dover: New York, 1972; pp 925-964.
-
(1972)
Handbook of Mathematical Functions
, pp. 925-964
-
-
Zelen, M.1
Severo, N.C.2
Abramovitz, M.3
Stegun, I.A.4
-
34
-
-
0001216964
-
-
Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I.; Merz, K. M.; Ferguson, D. M.; Spellmeyer, D. C.; Fox, T.; Caldwell, J. W.; Kollman, P. A. J. Am. Chem. Soc. 1996, 118., 2309-2309.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 2309-2309
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.4
Merz, K.M.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
36
-
-
84887100599
-
-
Gaussian: Pittsburgh, PA
-
Frisch, M. J.; Head-Gordon, M.; Schelegel, H. B.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Defrees, D. J.; Fox, D. J.; Whiteside, R. J.; Seeger, R.; Melius, C. F.; Baker, J.; Martin, R.; Kahn, L. R.; Stewart, J. J. P.; Fluder, E. M.; Topiol, S.; Pople, J. A. GAUSSIAN 88; Gaussian: Pittsburgh, PA, 1988.
-
(1988)
GAUSSIAN 88
-
-
Frisch, M.J.1
Head-Gordon, M.2
Schelegel, H.B.3
Raghavachari, K.4
Binkley, J.S.5
Gonzalez, C.6
Defrees, D.J.7
Fox, D.J.8
Whiteside, R.J.9
Seeger, R.10
Melius, C.F.11
Baker, J.12
Martin, R.13
Kahn, L.R.14
Stewart, J.J.P.15
Fluder, E.M.16
Topiol, S.17
Pople, J.A.18
-
37
-
-
85034129702
-
-
Available from Schrodinger, Inc., Jersey City, NJ
-
Technical Manual, Macromodel V6.0; Available from Schrodinger, Inc., Jersey City, NJ, 1999.
-
(1999)
Technical Manual, Macromodel V6.0
-
-
-
38
-
-
0023751431
-
-
Cramer, R. D.; Patterson, D. E.; Bunce, J. D. J. Am. Chem. Soc. 1988, 110, 5959-5967.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 5959-5967
-
-
Cramer, R.D.1
Patterson, D.E.2
Bunce, J.D.3
|