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

Himanshu Paliwal; Himanshu Paliwal; M Shirts

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

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.

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