Interface engineering

Comment on “Molecular Selectivity in Aquaporin Channels Studied by the 3D-RISM Theory”
Jochen Hub, Bert L. de Groot
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Comment on “Molecular Selectivity in Aquaporin Channels Studied by the 3D-RISM Theory”
g_wham — A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates
The Weighted Histogram Analysis Method (WHAM) is a standard technique used to compute potentials of mean force (PMFs) from a set of …
Jochen Hub, Bert L. de Groot, David van der Spoel
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g_wham — A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates
Potentials of Mean Force and Permeabilities for Carbon Dioxide, Ammonia, and Water Flux across a Rhesus Protein Channel and Lipid Membranes
As a member of the ubiquitous ammonium transporter/methylamine permease/Rhesus (Amt/MEP/Rh) family of membrane protein channels, the 50 …
Jochen Hub, Fritz K. Winkler, Mike Merrick, Bert L. de Groot
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Potentials of Mean Force and Permeabilities for Carbon Dioxide, Ammonia, and Water Flux across a Rhesus Protein Channel and Lipid Membranes