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Journal of medicinal chemistry, ISSN 0022-2623, 03/2004, Volume 47, Issue 7, pp. 1739 - 1749
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
Bioinformatics, ISSN 1367-4803, 06/2014, Volume 30, Issue 12, pp. 1771 - 1773
... be modeled to obtain an understanding of their molecular basis. We present a user-friendly protein docking server, based on the rigidbody docking programs ZDOCK and M-ZDOCK, to predict structures of protein-protein complexes and symmetric multimers... 
BIOTECHNOLOGY & APPLIED MICROBIOLOGY | PERFORMANCE | CAPRI | BIOCHEMICAL RESEARCH METHODS | MATHEMATICAL & COMPUTATIONAL BIOLOGY | ZRANK | WEB SERVER | Molecular Docking Simulation - methods | Multiprotein Complexes - chemistry | Software | Algorithms | Protein Multimerization | Applications Notes
Journal Article
Biophysical reviews, ISSN 1867-2469, 2017, Volume 9, Issue 2, pp. 91 - 102
Molecular docking methodology explores the behavior of small molecules in the binding site of a target protein... 
Life Sciences | Biochemistry, general | Membrane Biology | Rigid body docking | Biological Techniques | Biological and Medical Physics, Biophysics | Flexible docking | Docking accuracy | Nanotechnology | Cell Biology
Journal Article
Bioinformatics, ISSN 1367-4803, 03/2013, Volume 29, Issue 6, pp. 807 - 809
Journal Article