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Physical Chemistry Chemical Physics : PCCP|October 6, 2021
Propensity, free energy contributions and conformation of primary n-alcohols at a water surfaceVictor Ekholm, Carl Caleman, Jochen S Hub, et al.The Journal of Physical Chemistry. B|September 14, 2020
Cooperative Effects of an Antifungal Moiety and DMSO on Pore Formation over Lipid Membranes Revealed by Free Energy CalculationsGari Kasparyan, Chetan Poojari, Tomasz Róg, et al.Biophysical Journal|November 29, 2025
How protein hydration depends on amino acid composition, peptide conformation, and force fieldsJohanna-Barbara Linse, Tobias M Fischbach, Jochen S HubHandbook of Experimental Pharmacology|December 20, 2008
Dynamics and energetics of permeation through aquaporins. What do we learn from molecular dynamics simulations?Jochen S Hub, Helmut Grubmüller, Bert L de GrootPhysical Chemistry Chemical Physics : PCCP|June 8, 2012
Organic molecules on the surface of water droplets--an energetic perspectiveJochen S Hub, Carl Caleman, David van der SpoelNature Communications|November 16, 2021
Free energies of membrane stalk formation from a lipidomics perspectiveChetan S Poojari, Katharina C Scherer, Jochen S HubBiophysical Journal|January 23, 2026
Transmembrane domains of fusion proteins promote stalk formation by inducing membrane disorderKatharina C Scherer, Chetan S Poojari, Jochen S HubPlos Computational Biology|May 14, 2010
Spontaneous quaternary and tertiary T-R transitions of human hemoglobin in molecular dynamics simulationJochen S Hub, Marcus B Kubitzki, Bert L de GrootPhysical Chemistry Chemical Physics : PCCP|July 8, 2010
Dynamics and energetics of solute permeation through the Plasmodium falciparum aquaglyceroporinCamilo Aponte-Santamaría, Jochen S Hub, Bert L de GrootJournal of the American Chemical Society|March 1, 2012
Large influence of cholesterol on solute partitioning into lipid membranesChristian L Wennberg, David van der Spoel, Jochen S HubPageof 11