DOCK 4.0: search strategies for automated molecular docking of flexible molecule databases.
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References (38)
Computer Simulation of Liquids
2017 • 20,627 citations
Numerical Recipes, The Art of Scientific Computing
1987 • 10,372 citations
Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
1997 • 6,184 citations
Numerical Recipes in C: The Art of Scientific Computing.
1994 • 4,491 citations
A Fast Flexible Docking Method using an Incremental Construction Algorithm
1996 • 2,706 citations
A geometric approach to macromolecule-ligand interactions
1982 • 2,146 citations
Structural Origins of High-Affinity Biotin Binding to Streptavidin
1989 • 1,162 citations
Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4
1996 • 1,005 citations
The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure
1994 • 975 citations
The MIDAS display system
1988 • 955 citations
Automated docking with grid‐based energy evaluation
1992 • 911 citations
Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate.
1982 • 737 citations
Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming
1995 • 667 citations
Scoring noncovalent protein-ligand interactions: A continuous differentiable function tuned to compute binding affinities
1996 • 585 citations
Critical evaluation of search algorithms for automated molecular docking and database screening
1997 • 525 citations
Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure
1988 • 396 citations
Crystal structure of HIV-1 protease in complex with VX-478, a potent and orally bioavailable inhibitor of the enzyme
1995 • 385 citations
Molecular docking to ensembles of protein structures 1 1Edited by B. Honig
1997 • 380 citations
Ligand docking to proteins with discrete side-chain flexibility
1994 • 358 citations
Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites
1996 • 351 citations
FLOG: A system to select ?quasi-flexible? ligands complementary to a receptor of known three-dimensional structure
1994 • 271 citations
Flexible ligand docking using a genetic algorithm
1995 • 269 citations
Conformational analysis of flexible ligands in macromolecular receptor sites
1992 • 211 citations
Matching chemistry and shape in molecular docking
1993 • 205 citations
Multiple automatic base selection: protein-ligand docking based on incremental construction without manual intervention.
1997 • 191 citations
Binding of N-carboxymethyl dipeptide inhibitors to thermolysin determined by x-ray crystallography: a novel class of transition-state analogs for zinc peptidases
1984 • 153 citations
Automated flexible ligand docking method and its application for database search
1997 • 136 citations
Rational Automatic Search Method for Stable Docking Models of Protein and Ligand
1994 • 129 citations
A comparison of heuristic search algorithms for molecular docking.
1997 • 124 citations
Geometry of binding of the benzamidine‐ and arginine‐based inhibitors Nα‐(2‐naphthyl‐sulphonyl‐glycyl)‐<scp>dl</scp>‐p‐amidinophenylalanyl‐piperidine (NAPAP) and (2R,4R)‐4‐methyl‐1‐[Nα‐(3‐methyl‐1,2,3,4‐tetrahydro‐8‐quinolinesulphonyl)‐<scp>l</scp>‐arginyl]‐2‐piperidine carboxylic acid (MQPA) to human α‐thrombin
1990 • 123 citations
X-ray crystallographic investigation of substrate binding to carboxypeptidase A at subzero temperature.
1986 • 104 citations
Docking of hydrophobic ligands with interaction-based matching algorithms.
1999 • 95 citations
Orientational sampling and rigid-body minimization in molecular docking revisited: On-the-fly optimization and degeneracy removal
1996 • 83 citations
Geometry of binding of the Nα‐tosylated piperidides of m‐amidino‐, p‐amidino‐ and p‐guanidino phenylalanine to thrombin and trypsin
1991 • 76 citations
Using CONCORD to construct a large database of three-dimensional coordinates from connection tables
1989 • 74 citations
A genetic algorithm based method for docking flexible molecules
1994 • 63 citations
A shape- and chemistry-based docking method and its use in the design of HIV-1 protease inhibitors
1994 • 46 citations
High-resolution structure of the complex between carboxypeptidase A and<scp>L</scp>-phenyl lactate
1993 • 29 citations
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