• Journal Article

A Benchmark Test Set for Alchemical Free Energy Transformations and Its Use to Quantify Error in Common Free Energy Methods

Citation

Paliwal, H., & Shirts, M. (2011). A Benchmark Test Set for Alchemical Free Energy Transformations and Its Use to Quantify Error in Common Free Energy Methods. Journal of Chemical Theory and Computation, 7(12), 4115 - 4134.

Abstract