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simulation article 90 priority journal 66 molecular dynamics 50 controlled study 42 nonhuman 40 Molecular dynamics 30 Animals 28 Article 28 Protein Binding 24 unclassified drug 24 Humans 22 simulación 20 South America 18 Computer Simulation 16 Computer simulation 16 conformational transition 16 human 16 metabolism 16 prediction 16 Argentina 14 Binding Sites 14 Kinetics 14 Ligands 14 Molecular Dynamics Simulation 14 Mycobacterium tuberculosis 14 climate change 14 diffusion 14 hemoglobin 14 kinetics 14