SAMPL7 TrimerTrip host-guest binding affinities from extensive alchemical and end-point free energy calculations

Zhe Huai, Huaiyu Yang, Xiao Li, Zhaoxi Sun. SAMPL7 TrimerTrip host-guest binding affinities from extensive alchemical and end-point free energy calculations. Journal of Computer-Aided Molecular Design, 35(1):117-129, 2021. [doi]

Abstract

Abstract is missing.