Optimal designs for pairwise calculation: An application to free energy perturbation in minimizing prediction variability
Yang, Qingyi, Burchett, Woodrow, Steeno, Gregory S., Liu, Shuai, Yang, Mingjun, Mobley, David L., Hou, XinjunLanguage:
english
Journal:
Journal of Computational Chemistry
DOI:
10.1002/jcc.26095
Date:
November, 2019
File:
PDF, 1.81 MB
english, 2019