Chieh Lin, Pei-Hua Wang, et al.
ACS Applied Polymer Materials
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.
Chieh Lin, Pei-Hua Wang, et al.
ACS Applied Polymer Materials
Jed W. Pitera, William C. Swope, et al.
Biophysical Journal
James L McDonagh, William C. Swope, et al.
Polymer International
William C. Swope, Julia E. Rice, et al.
Journal of Physical Chemistry B