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article 98 molecular dynamics 78 priority journal 78 nonhuman 62 unclassified drug 58 Animals 52 controlled study 52 Molecular dynamics 50 chemistry 50 Humans 48 conformational transition 46 ligand binding 44 Argentina 38 human 38 Binding Sites 36 metabolism 36 Molecular Dynamics Simulation 32 protein conformation 32 Protein Binding 30 binding site 30 Article 28 Protein Conformation 28 Ligands 27 ligand 26 Computer Simulation 24 Models, Molecular 24 animal 24 Proteins 23 physiology 23 Thermodynamics 21