molecular model 205 article 108 priority journal 103 Models, Molecular 91 chemistry 87 unclassified drug 85 nonhuman 75 metabolism 65 controlled study 59 Animals 58 Article 58 Humans 54 molecular dynamics 52 human 50 chemical structure 46 Molecular dynamics 34 structure activity relation 34 Molecular modeling 32 Protein Binding 32 genetics 30 molecular docking 30 protein conformation 30 amino acid sequence 28 hydrogen bond 28 Molecular Dynamics Simulation 26 Protein Conformation 26 Structure-Activity Relationship 24 conformation 24 quantum mechanics 24 structure analysis 24