OPLS3e is one of the most recent updates in the OPLS force field series available in the Schrödinger software suite . OPLS3e has become widely used in drug discovery and material sciences due to its wide coverage of small molecules and accurate description of protein-ligand interactions. OPLS3e relies heavily on the earlier OPLS3 force field , but with addition and refinement of torsional parameters and better handling of partial charges to offer improved accuracy on small-molecule conformational propensities, solvation, and protein-ligand binding.