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Plos Computational Biology|October 19, 2017
Bayesian refinement of protein structures and ensembles against SAXS data using molecular dynamicsRoman Shevchuk, Jochen S HubPhysical Chemistry Chemical Physics : PCCP|October 11, 2018
Quantifying the influence of the ion cloud on SAXS profiles of charged proteinsMiloš T Ivanović, Linda K Bruetzel, Roman Shevchuk, 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 29, 2019
Combined Small-Angle X-ray and Neutron Scattering Restraints in Molecular Dynamics SimulationsPo-Chia Chen, Roman Shevchuk, Felix M Strnad, et al.Journal 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 HubCommunications Biology|December 22, 2023
Atomistic ensemble of active SHP2 phosphataseMassimiliano Anselmi, Jochen S HubBiophysical Journal|October 14, 2022
DNA opening during transcription initiation by RNA polymerase II in atomic detailJeremy Lapierre, Jochen S HubPageof 11