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Journal of medicinal chemistry, ISSN 0022-2623, 03/2004, Volume 47, Issue 7, pp. 1739 - 1749
Journal Article
Journal of molecular biology, ISSN 0022-2836, 2015, Volume 427, Issue 19, pp. 3031 - 3041
Journal Article
Biophysical journal, ISSN 0006-3495, 2018, Volume 114, Issue 10, pp. 2271 - 2278
Ensemble docking corresponds to the generation of an “ensemble” of drug target conformations in computational structure-based drug discovery, often obtained by using molecular dynamics simulation, that is used in docking candidate ligands... 
ACCELERATED MOLECULAR-DYNAMICS | DESIGN | POTENT | PROTEIN | BIOPHYSICS | INDUCED FIT | INHIBITORS | SIMULATION | MARKOV STATE MODELS | RECEPTOR FLEXIBILITY | SOFTWARE | Drug Discovery - methods | Protein Conformation | Molecular Docking Simulation | Software | Kinetics | Molecular dynamics | Molecular biology | Drug discovery | BASIC BIOLOGICAL SCIENCES | Biophysical s
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 evolution with a cavity prediction algorithm... 
AUTOMATED DOCKING | VALIDATION | CHEMISTRY, MEDICINAL | GENETIC ALGORITHM | Thermodynamics | Algorithms | Drug Design | Models, Molecular | Ligands | Proteins - chemistry | Binding Sites
Journal Article