molecular model 210 article 112 priority journal 104 Models, Molecular 92 chemistry 88 unclassified drug 86 nonhuman 76 metabolism 66 controlled study 62 Animals 60 Article 58 Humans 56 human 52 molecular dynamics 52 chemical structure 46 Molecular dynamics 34 Protein Binding 34 structure activity relation 34 Molecular modeling 32 genetics 30 molecular docking 30 protein conformation 30 amino acid sequence 28 hydrogen bond 28 Molecular Dynamics Simulation 26 Protein Conformation 26 structure analysis 26 Structure-Activity Relationship 24 animal 24 conformation 24