Hands-On Session 12: Indirect free energy “book-ending”: efficiently correct low-level MM force field results to high-level QDπ

Zeke Piskulich¹, Timothy Giese¹, and Darrin M. York¹

¹Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, NJ 08854, USA