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Photosynthesis Research|April 30, 2008
Dielectric relaxation in proteins: the computational perspectiveThomas SimonsonProceedings of the National Academy of Sciences of the United States of America|May 16, 2002
Gaussian fluctuations and linear response in an electron transfer proteinThomas SimonsonCurrent Pharmaceutical Design|November 23, 2012
Protein: ligand recognition: simple models for electrostatic effectsThomas SimonsonMedecine Sciences : M/S|June 30, 2005
[The >: can one predict the structure of proteins?]Thomas SimonsonThe Journal of Physical Chemistry. B|April 12, 2014
The mechanism of citryl-coenzyme A formation catalyzed by citrate synthaseAlexey Aleksandrov, Elena Zvereva, Martin FieldBiophysical Journal|November 20, 2020
Mechanism of Naphthoquinone Selectivity of Thymidylate Synthase ThyXHannu Myllykallio, Hubert F Becker, Alexey AleksandrovJournal of Chemical Theory and Computation|May 29, 2020
pKa Calculations with the Polarizable Drude Force Field and Poisson-Boltzmann Solvation ModelAlexey Aleksandrov, Benoît Roux, Alexander D MacKerellChembiochem : a European Journal of Chemical Biology|July 25, 2022
Photochemical and Molecular Dynamics Studies of Halide Binding in Flavoenzyme Glucose OxidaseBo Zhuang, Marten H Vos, Alexey AleksandrovThe Journal of Physical Chemistry. B|April 27, 2016
Aminoacetylation Reaction Catalyzed by Leucyl-tRNA Synthetase Operates via a Self-Assisted Mechanism Using a Conserved Residue and the Aminoacyl SubstrateAlexey Aleksandrov, Andrés Palencia, Stephen Cusack, et al.Scientific Reports|May 6, 2018
Cyclization Reaction Catalyzed by Cyclodipeptide Synthases Relies on a Conserved Tyrosine ResidueEmmanuelle Schmitt, Gabrielle Bourgeois, Muriel Gondry, et al.Pageof 13