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Journal of Computational Chemistry, ISSN 0192-8651, 10/2003, Volume 24, Issue 13, pp. 1549 - 1562
Journal Article
Journal of Medicinal Chemistry, ISSN 0022-2623, 01/2004, Volume 47, Issue 3, pp. 558 - 565
Docking molecules into their respective 3D macromolecular targets is a widely used method for lead optimization. However, the best known docking algorithms... 
DESIGN | CHEMISTRY, MEDICINAL | LIGAND INTERACTIONS | STRUCTURE-BASED DISCOVERY | INCREMENTAL CONSTRUCTION ALGORITHM | DATABASES | INHIBITORS | IDENTIFICATION | FLEXIBLE DOCKING | Algorithms | Models, Molecular | Protein Binding | Crystallography, X-Ray | Ligands | Molecular Structure | Proteins - chemistry | Binding Sites | Index Medicus
Journal Article
JOURNAL OF COMPUTATIONAL CHEMISTRY, ISSN 0192-8651, 12/2009, Volume 30, Issue 16, pp. 2785 - 2791
We describe the testing and release of AutoDock4 and the accompanying graphical user interface AutoDockTools. AutoDock4 incorporates limited flexibility in the... 
AutoDock | protein flexibility | covalent ligands | ALGORITHMS | FLEXIBLE LIGANDS | SUCCESSES | PROTEINS | computer-aided drug design | CHEMISTRY, MULTIDISCIPLINARY | CHALLENGES | computational docking | Models, Molecular | Protein Binding | Ligands | Software | Proteins - metabolism | Proteins | Proteases | Flexibility | Human immunodeficiency virus--HIV | Index Medicus
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 | Index Medicus
Journal Article
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 10/2018, Volume 39, Issue 28, pp. 2409 - 2413
Protein–peptide interactions play a crucial role in a variety of cellular processes. The protein–peptide complex structure is a key to understand the... 
complex structure prediction | molecular docking | protein–peptide interactions | molecular modeling | web server | BLIND | OPTIMIZATION | CHEMISTRY, MULTIDISCIPLINARY | protein-peptide interactions | FLEXIBLE DOCKING | PREDICTION | File servers | Rankings | Peptides | Analysis | Protein binding | Proteins | Binding | Docking | Docks | Cellular structure | Index Medicus
Journal Article
Proteins: Structure, Function, and Bioinformatics, ISSN 0887-3585, 12/2007, Volume 69, Issue 4, pp. 750 - 757