Solvents article 45 solvent 30 chemistry 26 Molecular dynamics 22 priority journal 22 Water 17 chemical structure 16 Hydrogen bonds 14 unclassified drug 14 Models, Molecular 13 nonhuman 12 controlled study 11 Density functional theory 10 Molecular Structure 10 Solutions 10 Temperature 10 water 10 Fluorescence 9 Ligands 9 Organic compounds 9 Thermodynamics 9 Computer Simulation 8 Dynamics 7 Molecular dynamics simulations 7 Organic solvents 7 Protein Binding 7 Proteins 7 Solvent effects 7 computer simulation 7