Solvents article 86 solvent 59 chemistry 51 priority journal 43 Molecular dynamics 40 Water 33 chemical structure 31 unclassified drug 27 Hydrogen bonds 25 Models, Molecular 24 nonhuman 22 controlled study 21 water 20 Density functional theory 19 Molecular Structure 19 Solutions 19 Temperature 19 Fluorescence 18 Ligands 17 Thermodynamics 17 Computer Simulation 16 Organic compounds 16 Organic solvents 14 Solvent effects 14 computer simulation 14 Protein Binding 13 Proteins 13 hydrogen bond 13 Dynamics 12