A Robust Force Field Based Method for Calculating Conformational Energies of Charged Drug-Like Molecules

Jacob Poehlsgaard, Kasper Harpsøe, Flemming Steen Jørgensen, Lars Olsen. A Robust Force Field Based Method for Calculating Conformational Energies of Charged Drug-Like Molecules. Journal of Chemical Information and Computer Sciences, 52(2):409-419, 2012. [doi]

Abstract

Abstract is missing.