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The Journal of Physical Chemistry. B|May 4, 2011
Free energy simulations of a GTPase: GTP and GDP binding to archaeal initiation factor 2Priyadarshi Satpati, Carine Clavaguéra, Gilles Ohanessian, et al.Biophysical Journal|November 18, 2009
Tetracycline-tet repressor binding specificity: insights from experiments and simulationsAlexey Aleksandrov, Linda Schuldt, Winfried Hinrichs, et al.Journal of Chemical Theory and Computation|October 25, 2016
A Hybrid Monte Carlo Scheme for Multibackbone Protein DesignKaren Druart, Julien Bigot, Edouard Audit, et al.Journal of Computational Chemistry|July 28, 2017
Comparing pairwise-additive and many-body generalized Born models for acid/base calculations and protein designFrancesco Villa, David Mignon, Savvas Polydorides, et al.Plos One|May 14, 2010
Computational protein design: validation and possible relevance as a tool for homology searching and fold recognitionMarcel Schmidt Am Busch, Audrey Sedano, Thomas SimonsonProteins|December 14, 2007
Probing electrostatic interactions and ligand binding in aspartyl-tRNA synthetase through site-directed mutagenesis and computer simulationsDamien Thompson, Christine Lazennec, Pierre Plateau, et al.Chembiochem : a European Journal of Chemical Biology|March 17, 2007
Protonation patterns in tetracycline:tet repressor recognition: simulations and experimentsAlexey Aleksandrov, Juliane Proft, Winfried Hinrichs, et al.The Journal of Chemical Physics|August 11, 2020
Hybrid MC/MD for protein designEleni Michael, Savvas Polydorides, Thomas Simonson, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 23, 2014
Structure and thermodynamics of Mg:phosphate interactions in water: a simulation studyManjeet Kumar, Thomas Simonson, Gilles Ohanessian, et al.Journal of Computational Chemistry|August 9, 2017
Simple models for nonpolar solvation: Parameterization and testingEleni Michael, Savvas Polydorides, Thomas Simonson, et al.Pageof 16