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Journal of Chemical Theory and Computation|June 2, 2022
Improving the Potential of Mean Force and Nonequilibrium Pulling Simulations by Simultaneous Alchemical ModificationsMaria M Reif, Martin ZachariasJournal of Computational Chemistry|May 18, 2016
Rapid approximate calculation of water binding free energies in the whole hydration domain of (bio)macromoleculesMaria M Reif, Martin ZachariasNucleic Acids Research|December 4, 2004
Influence of a fluorobenzene nucleobase analogue on the conformational flexibility of RNA studied by molecular dynamics simulationsMartin Zacharias, Joachim W EngelsProteins|May 31, 2021
Influence of a Ser111-phosphorylation on Rab1b GTPase conformational dynamics studied by advanced sampling simulationsDanial Pourjafar-Dehkordi, Martin ZachariasMethods in Molecular Biology (Clifton, N.J.)|December 10, 2021
Computational Tools for Accurate Binding Free-Energy PredictionMaria M Reif, Martin ZachariasProteins|October 17, 2012
Role of tyrosine hot-spot residues at the interface of colicin E9 and immunity protein 9: a comparative free energy simulation studyManuel P Luitz, Martin ZachariasThe Journal of Physical Chemistry. B|March 1, 2024
Liquid-Vapor Coexistence and Spontaneous Evaporation at Atmospheric Pressure of Common Rigid Three-Point Water Models in Molecular SimulationsPatrick K Quoika, Martin ZachariasACS Central Science|May 30, 2023
What Makes a Good Protein-Protein Interaction Stabilizer: Analysis and Application of the Dual-Binding MechanismShu-Yu Chen, Martin ZachariasBiophysical Journal|May 22, 2022
An internal docking site stabilizes substrate binding to γ-secretase: Analysis by molecular dynamics simulationsShu-Yu Chen, Martin ZachariasPhysical Chemistry Chemical Physics : PCCP|April 7, 2026
How cysteine oxidation affects protein stability and binding studied by free energy calculationsTristan Alexander Mauck, Martin ZachariasPageof 34