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Journal of Computational Chemistry, ISSN 0192-8651, 10/2003, Volume 24, Issue 13, pp. 1549 - 1562
The influence of various factors on the accuracy of protein‐ligand docking is examined. The factors investigated include the role of a grid representation of... 
CDOCKER | p value | grid approximations | CHARMm | MD docking | Grid approximations | SEARCH | FLEXIBILITY | AUTOMATED DOCKING | SIMULATION | CHEMISTRY, MULTIDISCIPLINARY | PREDICTION | ENERGY MINIMIZATION | DATABASE | PROTEIN-LIGAND INTERACTIONS | INHIBITORS | FLEXIBLE DOCKING | Thermodynamics | Algorithms | Computer Simulation | Models, Molecular | Protein Binding | Ligands | Molecular Structure | Proteins - chemistry
Journal Article
Journal Article
Journal of Medicinal Chemistry, ISSN 0022-2623, 06/2006, Volume 49, Issue 11, pp. 3315 - 3321
In this article we introduce a molecular docking algorithm called MolDock. MolDock is based on a new heuristic search algorithm that combines differential... 
CHEMISTRY, MEDICINAL | PROTEIN-LIGAND DOCKING | INCREMENTAL CONSTRUCTION ALGORITHM | AUTOMATED DOCKING | VALIDATION | GENETIC ALGORITHM | FLEXIBLE DOCKING | Thermodynamics | Algorithms | Drug Design | Models, Molecular | Ligands | Proteins - chemistry | Binding Sites
Journal Article
Methods in molecular biology (Clifton, N.J.), ISSN 1064-3745, 2008, Volume 443, pp. 365 - 382
Molecular docking is a key tool in structural molecular biology and computer-assisted drug design. The goal of ligand-protein docking is to predict the... 
GOLD | FlexX | ICM | DOCK | AutoDock | Computer-assisted drug design | Molecular recognition | Protein-ligand docking | Models, Molecular | Ligands | Software | Proteins - chemistry | Binding Sites | Drug Design
Journal Article
Journal Article
Biophysical Reviews, ISSN 1867-2450, 3/2014, Volume 6, Issue 1, pp. 75 - 87
Docking methodology aims to predict the experimental binding modes and affinities of small molecules within the binding site of particular receptor targets and... 
Life Sciences | Biochemistry, general | Structure-based drug design | Search algorithms | Membrane Biology | Biological Techniques | Protein-ligand docking | Biophysics and Biological Physics | Scoring functions | Nanotechnology | Cell Biology
Journal Article
Journal of Medicinal Chemistry, ISSN 0022-2623, 09/2009, Volume 52, Issue 18, pp. 5712 - 5720
Journal Article