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Journal of Computational Chemistry|March 6, 2021
The explicit role of electron exchange in the hydrogen bonded molecular complexesElena O Levina, Maria G Khrenova, Vladimir G TsirelsonJournal of Chemical Information and Modeling|September 10, 2024
Molecular Basis of the Substrate Specificity of Phosphotriesterase from Pseudomonas diminuta: A Combined QM/MM MD and Electron Density StudyTatiana I Mulashkina, Anna M Kulakova, Maria G KhrenovaThe Journal of Physical Chemistry. B|October 11, 2017
Mutants of the Flavoprotein iLOV as Prospective Red-Shifted Fluorescent MarkersMaria G Khrenova, Yulia I Meteleshko, Alexander V NemukhinOrganic & Biomolecular Chemistry|February 27, 2020
Proof of concept for poor inhibitor binding and efficient formation of covalent adducts of KRASG12C and ARS compoundsMaria G Khrenova, Anna M Kulakova, Alexander V NemukhinSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|May 24, 2016
Theoretical vibrational spectroscopy of intermediates and the reaction mechanism of the guanosine triphosphate hydrolysis by the protein complex Ras-GAPMaria G Khrenova, Bella L Grigorenko, Alexander V NemukhinJournal 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 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 NemukhinJournal of Chemical Information and Modeling|July 29, 2025
Enzymatic P-O Bond Cleavage: Criteria of Dissociative and Associative MechanismsTatiana I Mulashkina, Anna M Kulakova, Maria G KhrenovaThe Journal of Physical Chemistry. B|April 5, 2016
Reaction Mechanism of Guanosine Triphosphate Hydrolysis by the Vision-Related Protein Complex Arl3-RP2Maria G Khrenova, Ekaterina D Kots, Alexander V NemukhinMolecules (Basel, Switzerland)|October 23, 2021
Two Sides of Quantum-Based Modeling of Enzyme-Catalyzed Reactions: Mechanistic and Electronic Structure Aspects of the Hydrolysis by Glutamate CarboxypeptidaseAlexandra V Krivitskaya, Maria G Khrenova, Alexander V NemukhinPageof 8