Journal of Chemical Theory and Computation· 2015Q1
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
- 3,152citations
- Q1SCImago
- 2015year
Short summary
The OPLS3 force field significantly improves accuracy in modeling small molecules and proteins, achieving less than 1 kcal/mol RMS error in predicting protein-ligand binding, a 30% enhancement over previous versions.
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Physical and Theoretical ChemistryChemistry