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The Journal of Physical Chemistry. A|February 3, 2017
Equivalence of M- and P-Summation in Calculations of Ionic Solvation Free EnergiesThomas Simonson, Gerhard Hummer, Benoît RouxFrontiers in Nutrition|August 28, 2025
An overview of basic pathophysiological interactions between gut bacteria and their hostMathilde Simonson, Thomas Simonson, Estelle NobécourtBiochimica Et Biophysica Acta|July 23, 2014
Electrostatic free energies in translational GTPases: Classic allostery and the restThomas Simonson, Alexey Aleksandrov, Priyadarshi SatpatiJournal of Molecular Graphics & Modelling|July 18, 2024
Uncovering substrate specificity determinants of class IIb aminoacyl-tRNA synthetases with machine learningThomas Simonson, Victor Mihaila, Ivan RevegukActa Crystallographica. Section D, Biological Crystallography|December 4, 2003
Reintroducing electrostatics into protein X-ray structure refinement: bulk solvent treated as a dielectric continuumLuc Moulinier, David A Case, Thomas SimonsonJournal of the American Chemical Society|April 1, 2004
Proton binding to proteins: pK(a) calculations with explicit and implicit solvent modelsThomas Simonson, Jens Carlsson, David A CaseJournal of Chemical Theory and Computation|November 2, 2011
Evaluation of DNA Force Fields in Implicit SolvationThomas Gaillard, David A CaseThe Journal of Physical Chemistry. B|August 13, 2010
Predicting the acid/base behavior of proteins: a constant-pH Monte Carlo approach with generalized born solventAlexey Aleksandrov, Savvas Polydorides, Georgios Archontis, et al.The Journal of Biological Chemistry|August 11, 2007
Ammonium scanning in an enzyme active site. The chiral specificity of aspartyl-tRNA synthetaseDamien Thompson, Christine Lazennec, Pierre Plateau, et al.BMC Bioinformatics|July 31, 2007
Recognizing protein-protein interfaces with empirical potentials and reduced amino acid alphabetsGuillaume Launay, Raul Mendez, Shoshana Wodak, et al.Pageof 16