Potential of Mean Force Calculations of Solute Permeation Across UT-B and AQP1: A Comparison between Molecular Dynamics and 3D-RISM

Ariz-Extreme, IgorIgorAriz-ExtremeHub, Jochen S.Jochen S.Hub2020-12-102020-12-1020171520-6106https://resolver.sub.uni-goettingen.de/purl?gro-2/73510enPotential of Mean Force Calculations of Solute Permeation Across UT-B and AQP1: A Comparison between Molecular Dynamics and 3D-RISMjournal_article10.1021/acs.jpcb.6b112791520-5207