molecular interaction 234 article 174 priority journal 97 nonhuman 78 unclassified drug 56 controlled study 48 Animals 43 molecular dynamics 43 human 41 Humans 32 conference paper 27 signal transduction 26 hydrogen bond 25 crystal structure 24 metabolism 24 structure analysis 23 water 23 energy 22 reaction analysis 21 complex formation 20 mathematical analysis 20 molecular model 20 Article 18 mathematical model 18 Models, Molecular 17 Protein Binding 17 chemistry 17 enzyme activity 17 review 17 Molecular interactions 16