molecular model article 102 priority journal 98 Models, Molecular 88 chemistry 82 unclassified drug 80 nonhuman 72 metabolism 64 controlled study 60 Animals 56 Article 56 Humans 52 molecular dynamics 48 human 46 chemical structure 40 Protein Binding 32 structure activity relation 32 genetics 30 protein conformation 30 Molecular dynamics 28 amino acid sequence 28 Protein Conformation 26 hydrogen bond 26 molecular docking 26 structure analysis 26 Molecular Dynamics Simulation 24 Structure-Activity Relationship 24 protein binding 24 protein domain 24 Amino Acid Sequence 22