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Current Opinion in Structural Biology|August 30, 2021
How much can physics do for protein design?Eleni Michael, Thomas SimonsonProtein Science : a Publication of the Protein Society|March 19, 2024
Classifying protein kinase conformations with machine learningIvan Reveguk, Thomas SimonsonThe Journal of Physical Chemistry Letters|January 26, 2023
Excited-State Properties of Fully Reduced Flavins in Ferredoxin-NADP+ OxidoreductaseBo Zhuang, Alexey Aleksandrov, Daisuke Seo, et al.Journal of the American Chemical Society|February 16, 2021
Characterization of Light-Induced, Short-Lived Interacting Radicals in the Active Site of Flavoprotein Ferredoxin-NADP+ OxidoreductaseBo Zhuang, Daisuke Seo, Alexey Aleksandrov, et al.Science Advances|September 19, 2025
Ultrafast photooxidation of semireduced flavin in fatty acid photodecarboxylaseMarten H Vos, Elsa Balduzzi, Damien Sorigué, et al.Journal of Computational Chemistry|May 9, 2018
Combining the polarizable Drude force field with a continuum electrostatic Poisson-Boltzmann implicit solvation modelAlexey Aleksandrov, Fang-Yu Lin, Benoît Roux, et al.Physical Chemistry Chemical Physics : PCCP|April 11, 2022
The effect of PbS quantum dots on molecular dynamics and conductivity of PTB7:PC71BM bulk heterojunction as revealed by dielectric spectroscopyMihai Asandulesa, Sergei Kostromin, Alexey Aleksandrov, et al.Biochemistry|December 17, 2020
Cyclodipeptide Synthases of the NYH Subfamily Recognize tRNA Using an α-Helix Enriched with Positive ResiduesAnastasia Croitoru, Morgan Babin, Hannu Myllykallio, et al.Chembiochem : a European Journal of Chemical Biology|January 13, 2006
Free-energy simulations and experiments reveal long-range electrostatic interactions and substrate-assisted specificity in an aminoacyl-tRNA synthetaseDamien Thompson, Pierre Plateau, Thomas SimonsonScientific Reports|November 22, 2017
Computational design of fully overlapping coding schemes for protein pairs and tripletsVaitea Opuu, Martin Silvert, Thomas SimonsonPageof 13