Absolute binding free energy calculations of CBClip host-guest systems in the SAMPL5 blind challenge

Juyong Lee, Florentina Tofoleanu, Frank C. Pickard IV, Gerhard König, Jing Huang, Ana Damjanovic, Minkyung Baek, Chaok Seok, Bernard R. Brooks. Absolute binding free energy calculations of CBClip host-guest systems in the SAMPL5 blind challenge. Journal of Computer-Aided Molecular Design, 31(1):71-85, 2017. [doi]

Abstract

Abstract is missing.