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Journal of Chemical Theory and Computation|November 19, 2015
Adaptive Biasing Combined with Hamiltonian Replica Exchange to Improve Umbrella Sampling Free Energy SimulationsFabian Zeller, Martin ZachariasNucleic Acids Research|July 14, 2016
Free energy analysis and mechanism of base pair stacking in nicked DNAFlorian Häse, Martin ZachariasProteins|November 23, 2006
Enhanced sampling of peptide and protein conformations using replica exchange simulations with a peptide backbone biasing-potentialSrinivasaraghavan Kannan, Martin ZachariasThe Journal of Physical Chemistry. B|June 18, 2010
Hydration in discrete water. A mean field, cellular automata based approach to calculating hydration free energiesPiotr Setny, Martin ZachariasJournal of Structural Biology|March 11, 2009
Simulated annealing coupled replica exchange molecular dynamics--an efficient conformational sampling methodSrinivasaraghavan Kannan, Martin ZachariasProteins|January 29, 2009
Folding simulations of Trp-cage mini protein in explicit solvent using biasing potential replica-exchange molecular dynamics simulationsSrinivasaraghavan Kannan, Martin ZachariasProteins|September 23, 2014
Hamiltonian replica exchange combined with elastic network analysis to enhance global domain motions in atomistic molecular dynamics simulationsKatja Ostermeir, Martin ZachariasThe Journal of Physical Chemistry. B|August 28, 2014
Rapid alchemical free energy calculation employing a generalized born implicit solvent modelKatja Ostermeir, Martin ZachariasPlos One|February 17, 2017
Accelerated flexible protein-ligand docking using Hamiltonian replica exchange with a repulsive biasing potentialKatja Ostermeir, Martin ZachariasMethods in Molecular Biology (Clifton, N.J.)|February 26, 2017
Application of the ATTRACT Coarse-Grained Docking and Atomistic Refinement for Predicting Peptide-Protein InteractionsChristina Schindler, Martin ZachariasPageof 34