William C. Swope, Hans C. Andersen
The Journal of Chemical Physics
The free energy of amino acid side chain analogs was calculated. The free energy was correctly computed by simulation techniques. A large scale distributed computing was used to access computational resources to sample molecular systems and thus reduce statistical uncertainties of measured free energies.
William C. Swope, Hans C. Andersen
The Journal of Chemical Physics
Wei Yuan Yang, Jed W. Pitera, et al.
Journal of Molecular Biology
Lillian T. Chong, William C. Swope, et al.
Journal of Molecular Biology
Pingjie Tang, Meng Jiang, et al.
AAAI 2020