Molecular Conformation article 106 conformation 74 chemistry 68 Models, Molecular 52 unclassified drug 46 Magnetic Resonance Spectroscopy 38 chemical structure 36 nonhuman 34 priority journal 34 Animals 32 controlled study 32 Humans 26 molecular dynamics 26 Molecular Dynamics Simulation 24 nuclear magnetic resonance spectroscopy 24 Models, Chemical 22 Stereoisomerism 20 Dose-Response Relationship, Drug 18 Molecular Structure 18 Quantum Theory 18 drug structure 18 synthesis 18 drug synthesis 16 structure analysis 16 water 16 Crystallography, X-Ray 14 Structure-Activity Relationship 14 Water 14 catalysis 14