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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.Royal Society Open Science|January 14, 2017
Next Gen Pop Gen: implementing a high-throughput approach to population genetics in boarfish (<i>Capros aper</i>)Edward D Farrell, Jeanette E L Carlsson, Jens CarlssonJournal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|June 20, 2002
Density functional calculation of p K(a) values and redox potentials in the bovine Rieske iron-sulfur proteinG Matthias Ullmann, Louis Noodleman, David A CaseThe Journal of Physical Chemistry. B|November 17, 2018
Reconciling Structural and Spectroscopic Fingerprints of the Oxygen-Evolving Complex of Photosystem II: A Computational Study of the S<sub>2</sub> StateHe Chen, David A Case, G Charles DismukesJournal of Computational Chemistry|October 14, 2004
Constant pH molecular dynamics in generalized Born implicit solventJohn Mongan, David A Case, J Andrew McCammonThe Journal of Chemical Physics|December 11, 2007
Nonlinear scaling schemes for Lennard-Jones interactions in free energy calculationsThomas Steinbrecher, David L Mobley, David A CasePageof 39