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The Journal of Chemical Physics|July 9, 2021
Three- and four-site models for heavy water: SPC/E-HW, TIP3P-HW, and TIP4P/2005-HWJohanna-Barbara Linse, Jochen S HubCommunications Chemistry|December 12, 2023
Scrutinizing the protein hydration shell from molecular dynamics simulations against consensus small-angle scattering dataJohanna-Barbara Linse, Jochen S HubBiophysical Journal|November 29, 2025
How protein hydration depends on amino acid composition, peptide conformation, and force fieldsJohanna-Barbara Linse, Tobias M Fischbach, Jochen S HubJournal of the American Chemical Society|December 11, 2025
Depletion of the Protein Hydration Shell with Increasing Temperature Observed by Small-Angle X-ray Scattering and Molecular SimulationsJohanna-Barbara Linse, Hyun Sun Cho, Friedrich Schotte, et al.Biorxiv : the Preprint Server for Biology|July 9, 2025
Depletion of the protein hydration shell with increasing temperature observed by small-angle X-ray scattering and molecular simulationsJohanna-Barbara Linse, Hyun Sun Cho, Friedrich Schotte, et al.Nucleic Acids Research|January 23, 2023
Upstream of N-Ras C-terminal cold shock domains mediate poly(A) specificity in a novel RNA recognition mode and bind poly(A) binding proteinNele Merret Hollmann, Pravin Kumar Ankush Jagtap, Johanna-Barbara Linse, 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 HubPageof 10