-
1
-
-
0028454828
-
The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure
-
Bohm H-J. 1994. The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure. J Comput Aided Mol Des 8:243-256.
-
(1994)
J Comput Aided Mol Des
, vol.8
, pp. 243-256
-
-
Bohm, H.-J.1
-
2
-
-
0020441466
-
Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 Å resolution
-
Bolin JT, Filman DJ, Matthews DA, Hamlin RC, Kraut J. 1982. Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 Å resolution. J Biol Chem 257(22):13650-13662.
-
(1982)
J Biol Chem
, vol.257
, Issue.22
, pp. 13650-13662
-
-
Bolin, J.T.1
Filman, D.J.2
Matthews, D.A.3
Hamlin, R.C.4
Kraut, J.5
-
3
-
-
0029242576
-
PRO_LIGAND: An approach to de novo molecular design. 1. Application to the design of organic molecules
-
Clark DE, Frenkel D, Levy SA, Li J, Murray CW, Robson B, Waszkowycz B, Westhead DR. 1995. PRO_LIGAND: An approach to de novo molecular design. 1. Application to the design of organic molecules. J Comput Aided Mol Des 9:13-32.
-
(1995)
J Comput Aided Mol Des
, vol.9
, pp. 13-32
-
-
Clark, D.E.1
Frenkel, D.2
Levy, S.A.3
Li, J.4
Murray, C.W.5
Robson, B.6
Waszkowycz, B.7
Westhead, D.R.8
-
4
-
-
0021871375
-
A computational procedure for determining energetically favourable binding sites on biologically important macromolecules
-
Goodford PJ. 1985. A computational procedure for determining energetically favourable binding sites on biologically important macromolecules. J Med Chem 25:849-857.
-
(1985)
J Med Chem
, vol.25
, pp. 849-857
-
-
Goodford, P.J.1
-
5
-
-
0029294584
-
Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: Conformationally flexible docking by evolutionary programming
-
Gehlhaar DK, Verhivker GM, Rejto PA, Sherman CJ, Fogel DB, Fogel LJ, Freer ST. 1995. Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: Conformationally flexible docking by evolutionary programming. Chemistry & Biology 2:317-324.
-
(1995)
Chemistry & Biology
, vol.2
, pp. 317-324
-
-
Gehlhaar, D.K.1
Verhivker, G.M.2
Rejto, P.A.3
Sherman, C.J.4
Fogel, D.B.5
Fogel, L.J.6
Freer, S.T.7
-
6
-
-
0030255303
-
Scoring non-covalent ligand-protein interactions: A continuous differentiable function tuned to compute binding affinities
-
Jain AN. 1996. Scoring non-covalent ligand-protein interactions: A continuous differentiable function tuned to compute binding affinities. J Comput Aided Mol Des 10:427-440.
-
(1996)
J Comput Aided Mol Des
, vol.10
, pp. 427-440
-
-
Jain, A.N.1
-
7
-
-
0026310932
-
"Soft Docking": Matching of molecular surface cubes
-
Jiang F, Kim S-H. 1991. "Soft Docking": Matching of molecular surface cubes. J Mol Biol 219:79-102.
-
(1991)
J Mol Biol
, vol.219
, pp. 79-102
-
-
Jiang, F.1
Kim, S.-H.2
-
9
-
-
0028412035
-
FLOG: A system to select "quasi-flexible" ligands complementary to a receptor of known three-dimensional structure
-
Miller MD, Kearsley SK, Underwood DJ, Sheridan RP. 1994. FLOG: A system to select "quasi-flexible" ligands complementary to a receptor of known three-dimensional structure. J Comput Aided Mol Des 5:153-174.
-
(1994)
J Comput Aided Mol Des
, vol.5
, pp. 153-174
-
-
Miller, M.D.1
Kearsley, S.K.2
Underwood, D.J.3
Sheridan, R.P.4
-
10
-
-
0029197510
-
Time-efficient docking of flexible ligands into active sites of proteins
-
Rarey M, Kramer B, Lengauer T. 1995. Time-efficient docking of flexible ligands into active sites of proteins. ISMB-95:300-308.
-
(1995)
ISMB-95
, pp. 300-308
-
-
Rarey, M.1
Kramer, B.2
Lengauer, T.3
-
12
-
-
0025785057
-
Protein docking and complementarity
-
Shoichet BK, Kuntz ID. 1991. Protein docking and complementarity. J Mol Biol 227:327-346.
-
(1991)
J Mol Biol
, vol.227
, pp. 327-346
-
-
Shoichet, B.K.1
Kuntz, I.D.2
-
13
-
-
0027385177
-
Matching chemistry and shape in molecular docking
-
Shoichet BK, Kuntz ID. 1993. Matching chemistry and shape in molecular docking. Protein Eng 6(7):723-732.
-
(1993)
Protein Eng
, vol.6
, Issue.7
, pp. 723-732
-
-
Shoichet, B.K.1
Kuntz, I.D.2
-
14
-
-
0026606240
-
Crystallographic and thermodynamic comparison of natural and synthetic ligands bound to streptavidin
-
Weber PC, Wendoloski JJ, Pantoliano MW, Salemme FR. 1992. Crystallographic and thermodynamic comparison of natural and synthetic ligands bound to streptavidin. J Am Chem Soc 114:3197-3200.
-
(1992)
J Am Chem Soc
, vol.114
, pp. 3197-3200
-
-
Weber, P.C.1
Wendoloski, J.J.2
Pantoliano, M.W.3
Salemme, F.R.4
-
15
-
-
0030154893
-
Hammerhead: Fast, fully automated docking of flexible ligands to protein structures
-
Welch W, Ruppert J, Jain A. 1996. Hammerhead: Fast, fully automated docking of flexible ligands to protein structures. Chemistry & Biology 3:449-462.
-
(1996)
Chemistry & Biology
, vol.3
, pp. 449-462
-
-
Welch, W.1
Ruppert, J.2
Jain, A.3
|