Journal Article 894 Research Support, Non-U.S. Gov't 194 simulation 108 molecular dynamics simulation 59 molecular dynamics simulations 54 Research Support, U.S. Gov't, Non-P.H.S. 52 Monte Carlo simulation 41 mehr ... 059QF0KO0R 40 Water 40 Review 36 Simulation 35 Solid Waste 29 Monte Carlo simulations 27 molecular dynamics 27 Water Pollutants, Chemical 26 simulations 26 Research Support, N.I.H., Extramural 24 molecular simulation 24 Proteins 22 Soil 21 MD simulation 17 MD simulations 17 Solvents 15 climate change 15 numerical simulation 15 Air Pollutants 14 COVID-19 14 Numerical simulation 14 Copper 13 Peptides 13 weniger ...