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The Journal of Physical Chemistry. B|January 5, 2018
Modeling the Transient Kinetics of the L1 Metallo-β-LactamaseMaria G Khrenova, Alexander V NemukhinThe Journal of Physical Chemistry. B|April 2, 2015
Theoretical Characterization of the Flavin-Based Fluorescent Protein iLOV and its Q489K MutantMaria G Khrenova, Alexander V Nemukhin, Tatiana DomratchevaJournal of Chemical Information and Modeling|November 16, 2018
Allosteric Control of N-Acetyl-Aspartate Hydrolysis by the Y231C and F295S Mutants of Human AspartoacylaseEkaterina D Kots, Maria G Khrenova, Alexander V NemukhinJournal of Molecular Graphics & Modelling|August 16, 2011
Minimum energy reaction profiles for ATP hydrolysis in myosinBella L Grigorenko, Ilya A Kaliman, Alexander V NemukhinOrganic & Biomolecular Chemistry|May 2, 2019
Diversity of mechanisms in Ras-GAP catalysis of guanosine triphosphate hydrolysis revealed by molecular modelingBella L Grigorenko, Ekaterina D Kots, Alexander V NemukhinOrganic & Biomolecular Chemistry|October 3, 2018
Competition between two cysteines in covalent binding of biliverdin to phytochrome domainsMaria G Khrenova, Anna M Kulakova, Alexander V NemukhinPhysical Chemistry Chemical Physics : PCCP|September 12, 2018
Amide-imide tautomerization in the glutamine side chain in enzymatic and photochemical reactions in proteinsBella L Grigorenko, Maria G Khrenova, Alexander V NemukhinJournal of Chemical Theory and Computation|December 3, 2015
Electronic Excitations of the Chromophore from the Fluorescent Protein asFP595 in SolutionsAlexander V Nemukhin, Igor A Topol, Stanley K BurtMolecules (Basel, Switzerland)|January 21, 2023
Modeling Light-Induced Chromophore Hydration in the Reversibly Photoswitchable Fluorescent Protein DreiklangBella L Grigorenko, Igor V Polyakov, Alexander V NemukhinJournal of the American Chemical Society|July 6, 2017
Molecular Modeling Clarifies the Mechanism of Chromophore Maturation in the Green Fluorescent ProteinBella L Grigorenko, Anna I Krylov, Alexander V NemukhinPageof 9