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Journal of Chemical Theory and Computation|January 7, 2026
BindFlow: A Free, User-Friendly Pipeline for Absolute Binding Free Energy Calculations Using Free Energy Perturbation or MM(PB/GB)SAAlejandro Martínez León, Lucas Andersen, Jochen S HubChemistry and Physics of Lipids|April 6, 2019
Steroid-steroid interactions in biological membranes: Cholesterol and cortisoneAdree Khondker, Jochen S Hub, Maikel C RheinstädterPNAS Nexus|March 6, 2025
How pore formation in complex biological membranes is governed by lipid composition, mechanics, and lateral sortingLeonhard J Starke, Christoph Allolio, Jochen S HubPhysical 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 HubPageof 11