-
1
-
-
0027976930
-
Molecular surface representation by sparse critical points
-
Lin LS, Nussinov R, Fischer D, Wolfson H: Molecular surface representation by sparse critical points. Proteins 1994, 18:94-101.
-
(1994)
Proteins
, vol.18
, pp. 94-101
-
-
Lin, L.S.1
Nussinov, R.2
Fischer, D.3
Wolfson, H.4
-
2
-
-
0029089732
-
Molecular surface complementarity at protein-protein interfaces: The critical role played by surface normals at well placed sparse points in docking
-
Norel R, Lin SL, Wolfson HL, Nussinov R: Molecular surface complementarity at protein-protein interfaces: the critical role played by surface normals at well placed sparse points in docking. J Mol Biol 1995, 252:263-273.
-
(1995)
J Mol Biol
, vol.252
, pp. 263-273
-
-
Norel, R.1
Lin, S.L.2
Wolfson, H.L.3
Nussinov, R.4
-
3
-
-
0028575449
-
Hydrophobic docking: A proposed enhancement to molecular recognition techniques
-
Vakser IA, Aflalo C: Hydrophobic docking: a proposed enhancement to molecular recognition techniques. Proteins 1994, 20:320-329.
-
(1994)
Proteins
, vol.20
, pp. 320-329
-
-
Vakser, I.A.1
Aflalo, C.2
-
4
-
-
0029174344
-
Protein docking combining symbolic descriptions of molecular surfaces and grid-based scoring functions
-
Menlo Park, California: AAAI Press
-
Ackermann F, Herrmann G, Kummert F, Posch S, Sagerer G, Schomburg D: Protein docking combining symbolic descriptions of molecular surfaces and grid-based scoring functions. In Proceedings of the Third International Conference on Intelligent Systems in Molecular Biology. Menlo Park, California: AAAI Press; 1995:3-11.
-
(1995)
Proceedings of the Third International Conference on Intelligent Systems in Molecular Biology
, pp. 3-11
-
-
Ackermann, F.1
Herrmann, G.2
Kummert, F.3
Posch, S.4
Sagerer, G.5
Schomburg, D.6
-
5
-
-
0026310932
-
Soft docking: Matching of molecular surface cubes
-
Jiang F, Kim S: Soft docking: matching of molecular surface cubes. J Mol Biol 1991, 219:79-102.
-
(1991)
J Mol Biol
, vol.219
, pp. 79-102
-
-
Jiang, F.1
Kim, S.2
-
6
-
-
0026464639
-
New algorithm to model protein-protein recognition based on surface complementarity
-
Walls PH, Sternberg MJE: New algorithm to model protein-protein recognition based on surface complementarity. J Mol Biol 1992, 228:277-297.
-
(1992)
J Mol Biol
, vol.228
, pp. 277-297
-
-
Walls, P.H.1
Sternberg, M.J.E.2
-
7
-
-
0027958638
-
PUZZLE: A new method for automated protein docking based on surface shape complementarity
-
Helmer-Citterich M, Tramontano A: PUZZLE: a new method for automated protein docking based on surface shape complementarity. J Mol Biol 1994, 235:1021-1031.
-
(1994)
J Mol Biol
, vol.235
, pp. 1021-1031
-
-
Helmer-Citterich, M.1
Tramontano, A.2
-
10
-
-
0029025913
-
A geometry-based suite of molecular docking processes
-
Fischer D, Lin SL, Wolfson HL, Nussinov R: A geometry-based suite of molecular docking processes. J Mol Biol 1995, 248:459-477.
-
(1995)
J Mol Biol
, vol.248
, pp. 459-477
-
-
Fischer, D.1
Lin, S.L.2
Wolfson, H.L.3
Nussinov, R.4
-
12
-
-
0026572775
-
Molecular surface recognition: Determination of geometric fit between proteins and their ligands by correlation techniques
-
Katchalski-Katzir E, Shariv I, Eisenstein M, Friesem AA, Aflalo C, Vakser IA: Molecular surface recognition: determination of geometric fit between proteins and their ligands by correlation techniques. Proc Natl Acad Sci USA 1992, 89:2195-2199.
-
(1992)
Proc Natl Acad Sci USA
, vol.89
, pp. 2195-2199
-
-
Katchalski-Katzir, E.1
Shariv, I.2
Eisenstein, M.3
Friesem, A.A.4
Aflalo, C.5
Vakser, I.A.6
-
13
-
-
0028984540
-
Protein docking for low-resolution structures
-
Vakser IA: Protein docking for low-resolution structures. Protein Eng 1995, 8:371-377.
-
(1995)
Protein Eng
, vol.8
, pp. 371-377
-
-
Vakser, I.A.1
-
14
-
-
0028410583
-
Detailed ab initio prediction of lysozyme-antibody complex with 1.6 Å accuracy
-
Totrov M, Abagyan R: Detailed ab initio prediction of lysozyme-antibody complex with 1.6 Å accuracy. Nat Struct Biol 1994, 1:259-263.
-
(1994)
Nat Struct Biol
, vol.1
, pp. 259-263
-
-
Totrov, M.1
Abagyan, R.2
-
15
-
-
0027955787
-
Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins
-
Abagyan R, Totrov M: Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins. J Mol Biol 1994, 235:983-1002.
-
(1994)
J Mol Biol
, vol.235
, pp. 983-1002
-
-
Abagyan, R.1
Totrov, M.2
-
16
-
-
0029022714
-
Potential energy functions
-
Halgren TA: Potential energy functions. Curr Opin Struct Biol 1995, 5:205-210.
-
(1995)
Curr Opin Struct Biol
, vol.5
, pp. 205-210
-
-
Halgren, T.A.1
-
17
-
-
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: FLOG: a system to select 'quasi-flexible' ligands complementary to a receptor of known three-dimensional structure. 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
-
18
-
-
0028522982
-
Flexibases: A way to enhance the use of molecular docking methods
-
Kearsley SK, Underwood DJ, Sheridan RP, Miller MD: Flexibases: a way to enhance the use of molecular docking methods. J Comput Aided Mol Des 1994, 8:565-582.
-
(1994)
J Comput Aided Mol des
, vol.8
, pp. 565-582
-
-
Kearsley, S.K.1
Underwood, D.J.2
Sheridan, R.P.3
Miller, M.D.4
-
19
-
-
0028522365
-
A fast and efficient method to generate biologically relevant conformations
-
Klebe G, Mietzner T: A fast and efficient method to generate biologically relevant conformations. J Comput Aided Mol Des 1994, 8:583-606.
-
(1994)
J Comput Aided Mol des
, vol.8
, pp. 583-606
-
-
Klebe, G.1
Mietzner, T.2
-
20
-
-
0028454828
-
The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure
-
Böhm HJ: 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 1994, 8:243-256.
-
(1994)
J Comput Aided Mol des
, vol.8
, pp. 243-256
-
-
Böhm, H.J.1
-
21
-
-
84986467005
-
Conformational analysis of flexible ligands in macromolecular receptor sites
-
Leach AR, Kuntz ID: Conformational analysis of flexible ligands in macromolecular receptor sites. J Comput Chem 1992, 13:730-748.
-
(1992)
J Comput Chem
, vol.13
, pp. 730-748
-
-
Leach, A.R.1
Kuntz, I.D.2
-
22
-
-
0027985242
-
Rational automatic search method for stable docking models of protein and ligand
-
Mizutani MY, Tomioka N, Itai A: Rational automatic search method for stable docking models of protein and ligand. J Mol Biol 1994, 243:310-326.
-
(1994)
J Mol Biol
, vol.243
, pp. 310-326
-
-
Mizutani, M.Y.1
Tomioka, N.2
Itai, A.3
-
23
-
-
0029197510
-
Time-efficient docking of flexible ligands into active sites of proteins
-
Edited by Rawlings C, Clark D, Altman R, Hunter L, Lengauer T, Wodak S. Menlo Park, CA: AAAI Press
-
Rarey M, Kramer B, Lengauer T: Time-efficient docking of flexible ligands into active sites of proteins. In Proceedings of the Third International Conference on Intelligent Systems in Molecular Biology. Edited by Rawlings C, Clark D, Altman R, Hunter L, Lengauer T, Wodak S. Menlo Park, CA: AAAI Press; 1995:300-308.
-
(1995)
Proceedings of the Third International Conference on Intelligent Systems in Molecular Biology
, pp. 300-308
-
-
Rarey, M.1
Kramer, B.2
Lengauer, T.3
-
24
-
-
0028940058
-
An automated computer vision and robotics-based technique for 3-D flexible biomolecular docking and matching
-
Sandak B, Nussinov R, Wolfson HJ: An automated computer vision and robotics-based technique for 3-D flexible biomolecular docking and matching. 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
-
25
-
-
84986492468
-
Flexible ligand docking without parameter adjustment across four ligand-receptor complexes
-
Clark KP, Ajay: Flexible ligand docking without parameter adjustment across four ligand-receptor complexes. J Comput Chem 1995, 16:1210-1226.
-
(1995)
J Comput Chem
, vol.16
, pp. 1210-1226
-
-
Clark, K.P.1
Ajay2
-
27
-
-
0028854034
-
Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation
-
Jones G, Willet P, Glen RC: Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation. J Mol Biol 1995, 245:43-53.
-
(1995)
J Mol Biol
, vol.245
, pp. 43-53
-
-
Jones, G.1
Willet, P.2
Glen, R.C.3
-
28
-
-
0013482340
-
Docking conformationally flexible small molecules into a protein binding site through evolutionary programming
-
Edited by McDonnell JR, Reynolds RG, Fogel DB. Cambridge, MA: MIT Press
-
Gelhaar DK, Verkhivker G, Rejto PA, Fogel DB, Fogel U, Freer ST: Docking conformationally flexible small molecules into a protein binding site through evolutionary programming. In Proceedings of the Fourth Annual Conference on Evolutionary Programming. Edited by McDonnell JR, Reynolds RG, Fogel DB. Cambridge, MA: MIT Press; 1995:615-627.
-
(1995)
Proceedings of the Fourth Annual Conference on Evolutionary Programming
, pp. 615-627
-
-
Gelhaar, D.K.1
Verkhivker, G.2
Rejto, P.A.3
Fogel, D.B.4
Fogel, U.5
Freer, S.T.6
-
29
-
-
0027216905
-
The joys and vicissitudes of protein science
-
Koshland DE Jr: The joys and vicissitudes of protein science. Protein Sci 1993, 2:1364-1368.
-
(1993)
Protein Sci
, vol.2
, pp. 1364-1368
-
-
Koshland D.E., Jr.1
-
30
-
-
0028158936
-
Ligand docking to proteins with discrete side-chain flexibility
-
Leach AR: Ligand docking to proteins with discrete side-chain flexibility. J Mol Biol 1994, 235:345-356.
-
(1994)
J Mol Biol
, vol.235
, pp. 345-356
-
-
Leach, A.R.1
-
31
-
-
0028291376
-
Molecular dynamics simulation of the docking of substrates to proteins
-
Di Nola A, Roccatano D, Berendsen HJC: Molecular dynamics simulation of the docking of substrates to proteins. Proteins 1994, 19:174-182.
-
(1994)
Proteins
, vol.19
, pp. 174-182
-
-
Di Nola, A.1
Roccatano, D.2
Berendsen, H.J.C.3
-
32
-
-
84986511247
-
A molecular mechanics/grid method for evaluation of ligand-receptor interactions
-
Luty BA, Wasserman ZR, Stouten PFW, Hodge CN, Zacharias M, McCammon JA: A molecular mechanics/grid method for evaluation of ligand-receptor interactions. J Comput Chem 1995, 16:454-464.
-
(1995)
J Comput Chem
, vol.16
, pp. 454-464
-
-
Luty, B.A.1
Wasserman, Z.R.2
Stouten, P.F.W.3
Hodge, C.N.4
Zacharias, M.5
McCammon, J.A.6
-
33
-
-
0029450365
-
Hydration in drug design. 1. Multiple hydrogen-bonding features of water molecules in mediating protein-ligand interactions
-
Poornima CS, Dean PM: Hydration in drug design. 1. Multiple hydrogen-bonding features of water molecules in mediating protein-ligand interactions. J Comput Aided Mol Des 1995, 9:500-512.
-
(1995)
J Comput Aided Mol des
, vol.9
, pp. 500-512
-
-
Poornima, C.S.1
Dean, P.M.2
-
34
-
-
0028047009
-
Rational drug design: The proteinase inhibitors
-
Wlodawer A: Rational drug design: the proteinase inhibitors. Pharmacotherapy 1994, 14(suppl2):9-20.
-
(1994)
Pharmacotherapy
, vol.14
, Issue.12 SUPPL.
, pp. 9-20
-
-
Wlodawer, A.1
-
35
-
-
0028140592
-
MONTY: A Monte Carlo approach to protein-DNa recognition
-
Knetgel RMA, Antoon J, Rullmann C, Boelens R, Kaptein R: MONTY: a Monte Carlo approach to protein-DNA recognition. J Mol Biol 1994, 235:318-324.
-
(1994)
J Mol Biol
, vol.235
, pp. 318-324
-
-
Knetgel, R.M.A.1
Antoon, J.2
Rullmann, C.3
Boelens, R.4
Kaptein, R.5
-
36
-
-
0028181137
-
Monte Carlo docking of protein-DNA complexes: Incorporation of DNA flexibility and experimental data
-
Knetgel RMA, Boelens R, Kaptein R: Monte Carlo docking of protein-DNA complexes: incorporation of DNA flexibility and experimental data. Protein Eng 1994, 7:761-767.
-
(1994)
Protein Eng
, vol.7
, pp. 761-767
-
-
Knetgel, R.M.A.1
Boelens, R.2
Kaptein, R.3
-
37
-
-
0028711919
-
Finding potential DNA-binding compounds by using molecular shape
-
Grootenhuis PDJ, Roe DC, Kollman PA, Kuntz ID: Finding potential DNA-binding compounds by using molecular shape. J Comput Aided Mol Des 1994, 8:731-750.
-
(1994)
J Comput Aided Mol des
, vol.8
, pp. 731-750
-
-
Grootenhuis, P.D.J.1
Roe, D.C.2
Kollman, P.A.3
Kuntz, I.D.4
-
41
-
-
0028493139
-
Current methods for site-directed structure generation
-
Lewis RA, Leach A: Current methods for site-directed structure generation. J Comput Aided Mol Des 1994, 8:467-475.
-
(1994)
J Comput Aided Mol des
, vol.8
, pp. 467-475
-
-
Lewis, R.A.1
Leach, A.2
-
42
-
-
0028584446
-
Structure-based drug design
-
Colman PM: Structure-based drug design. Curr Opin Struct Biol 1994, 4:868-874.
-
(1994)
Curr Opin Struct Biol
, vol.4
, pp. 868-874
-
-
Colman, P.M.1
-
43
-
-
0027942499
-
Software for structure-based drug design
-
Guida WC: Software for structure-based drug design. Curr Opin Struct Biol 1994, 4:777-781.
-
(1994)
Curr Opin Struct Biol
, vol.4
, pp. 777-781
-
-
Guida, W.C.1
-
45
-
-
0343445468
-
Combinatorial Libraries: The Theory and Practice of Combinatorial Chemistry
-
Leiden: ESCOM Science Publishers BV
-
Houghton RA: Combinatorial Libraries: the Theory and Practice of Combinatorial Chemistry. Perspectives in Drug Discovery and Design. Leiden: ESCOM Science Publishers BV; 1995.
-
(1995)
Perspectives in Drug Discovery and Design
-
-
Houghton, R.A.1
-
46
-
-
0026649231
-
Directed evolution of an RNA enzyme
-
Beaudry AA, Joyce GF: Directed evolution of an RNA enzyme. Science 1992, 257:635-641.
-
(1992)
Science
, vol.257
, pp. 635-641
-
-
Beaudry, A.A.1
Joyce, G.F.2
|