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Biochimica Et Biophysica Acta|January 10, 2013
Advanced replica-exchange sampling to study the flexibility and plasticity of peptides and proteinsKatja Ostermeir, Martin ZachariasPhysical Chemistry Chemical Physics : PCCP|July 25, 2013
Transformations in plasma membranes of cancerous cells and resulting consequences for cation insertion studied with molecular dynamicsMarco Klähn, Martin ZachariasNucleic Acids Research|December 13, 2018
How methyl-sugar interactions determine DNA structure and flexibilityKorbinian Liebl, Martin ZachariasThe Journal of Chemical Physics|March 19, 2009
Enhanced conformational sampling of nucleic acids by a new Hamiltonian replica exchange molecular dynamics approachJeremy Curuksu, Martin ZachariasProteins|August 31, 2007
Energy minimization in low-frequency normal modes to efficiently allow for global flexibility during systematic protein-protein dockingAndreas May, Martin ZachariasProtein Science : a Publication of the Protein Society|June 18, 2024
How arginine inhibits substrate-binding domain 2 elucidated using molecular dynamics simulationsMaximilian Kienlein, Martin ZachariasMethods in Molecular Biology (Clifton, N.J.)|July 23, 2014
Computational antigenic epitope prediction by calculating electrostatic desolvation penalties of protein surfacesSébastien Fiorucci, Martin ZachariasThe Journal of Physical Chemistry. B|October 25, 2017
Unwinding Induced Melting of Double-Stranded DNA Studied by Free Energy SimulationsKorbinian Liebl, Martin ZachariasProteins|February 16, 2026
AlphaFold2-Guided Cyclic Peptide Stabilizer Design to Target Protein-Protein InteractionsNiklas Halbwedl, Martin ZachariasJournal of Chemical Information and Modeling|May 1, 2026
Protein-Protein Interaction Stabilizers from MD Simulation-Derived PharmacophoresMohd Ibrahim, Martin ZachariasPageof 34