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Biophysical Journal|June 3, 2008
Not only enthalpy: large entropy contribution to ion permeation barriers in single-file channelsGuillem Portella, Jochen S Hub, Martin D Vesper, et al.Pflugers Archiv : European Journal of Physiology|January 16, 2008
Is TEA an inhibitor for human Aquaporin-1?E Matthias Müller, Jochen S Hub, Helmut Grubmüller, et al.Biophysical Journal|September 6, 2012
Partial least-squares functional mode analysis: application to the membrane proteins AQP1, Aqy1, and CLC-ec1Tatyana Krivobokova, Rodolfo Briones, Jochen S Hub, et al.Current Opinion in Structural Biology|November 25, 2017
Interpreting solution X-ray scattering data using molecular simulationsJochen S HubJournal of Chemical Theory and Computation|January 11, 2021
Joint Reaction Coordinate for Computing the Free-Energy Landscape of Pore Nucleation and Pore Expansion in Lipid MembranesJochen S HubJournal of Chemical Theory and Computation|June 3, 2016
Simulations of Pore Formation in Lipid Membranes: Reaction Coordinates, Convergence, Hysteresis, and Finite-Size EffectsNeha Awasthi, Jochen S HubJournal of Chemical Information and Modeling|August 10, 2023
Converging PMF Calculations of Antibiotic Permeation across an Outer Membrane Porin with Subkilocalorie per Mole AccuracyJeremy Lapierre, Jochen S HubScientific Reports|October 29, 2020
An allosteric interaction controls the activation mechanism of SHP2 tyrosine phosphataseMassimiliano Anselmi, Jochen S HubPlos Computational Biology|October 19, 2017
Bayesian refinement of protein structures and ensembles against SAXS data using molecular dynamicsRoman Shevchuk, Jochen S HubCommunications Biology|December 22, 2023
Atomistic ensemble of active SHP2 phosphataseMassimiliano Anselmi, Jochen S HubPageof 28