molecular interaction article 170 priority journal 94 nonhuman 78 unclassified drug 54 controlled study 50 molecular dynamics 44 Animals 42 human 36 Humans 32 conference paper 30 metabolism 26 structure analysis 26 crystal structure 24 hydrogen bond 24 signal transduction 24 water 24 energy 22 reaction analysis 22 complex formation 20 mathematical analysis 20 molecular model 20 Article 18 Models, Molecular 18 Protein Binding 18 enzyme activity 18 mathematical model 18 review 18 Molecular dynamics 16 calcium ion 16