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Protein Science : a Publication of the Protein Society|October 18, 2020
Ligand binding and global adaptation of the GlnPQ substrate binding domain 2 revealed by molecular dynamics simulationsMaximilian Kienlein, 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 ZachariasJournal of Chemical Theory and Computation|March 11, 2024
Comprehensive Analysis of Coupled Proline Cis-Trans States in Bradykinin Using ωBP-REMD SimulationsMaximilian Kienlein, Martin Zacharias, Maria M ReifStructure (London, England : 1993)|September 1, 2023
Efficient and accurate calculation of proline cis/trans isomerization free energies from Hamiltonian replica exchange molecular dynamics simulationsMaximilian Kienlein, Martin Zacharias, Maria M ReifProteins|June 28, 2005
ATTRACT: protein-protein docking in CAPRI using a reduced protein modelMartin ZachariasProteins|August 23, 2012
Combining coarse-grained nonbonded and atomistic bonded interactions for protein modelingMartin ZachariasJournal of Chemical Theory and Computation|December 2, 2015
Combining Elastic Network Analysis and Molecular Dynamics Simulations by Hamiltonian Replica ExchangeMartin ZachariasStructure (London, England : 1993)|March 9, 2017
Predicting Allosteric Changes from Conformational EnsemblesMartin ZachariasProtein Science : a Publication of the Protein Society|May 23, 2003
Protein-protein docking with a reduced protein model accounting for side-chain flexibilityMartin ZachariasBiophysical Journal|May 16, 2006
Minor groove deformability of DNA: a molecular dynamics free energy simulation studyMartin ZachariasPageof 34