Paulius Mikulskis, Samuel Genheden, Patrik Rydberg, Lars Sandberg, Lars Olsen, Ulf Ryde. Binding affinities in the SAMPL3 trypsin and host-guest blind tests estimated with the MM/PBSA and LIE methods. Journal of Computer-Aided Molecular Design, 26(5):527-541, 2012. [doi]
Abstract is missing.