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Journal of Chemical Information and Modeling|March 8, 2021
Light-Induced Change of Arginine Conformation Modulates the Rate of Adenosine Triphosphate to Cyclic Adenosine Monophosphate Conversion in the Optogenetic System Containing Photoactivated Adenylyl CyclaseMaria G Khrenova, Anna M Kulakova, Alexander V Nemukhin
The Journal of Physical Chemistry. B|April 2, 2014
Computational characterization of ketone-ketal transformations at the active site of matrix metalloproteinasesMaria G Khrenova, Alexander V Nemukhin, Alexander P Savitsky
Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|November 8, 2018
Novel flavin-based fluorescent proteins with red-shifted emission bands: a computational studyYulia I Meteleshko, Alexander V Nemukhin, Maria G Khrenova
Journal of Chemical Information and Modeling|October 4, 2021
Modeling Spectral Tuning in Red Fluorescent Proteins Using the Dipole Moment Variation upon ExcitationMaria G Khrenova, Fedor D Mulashkin, Alexander V Nemukhin
Physical Chemistry Chemical Physics : PCCP|August 20, 2020
Dynamical properties of enzyme-substrate complexes disclose substrate specificity of the SARS-CoV-2 main protease as characterized by the electron density descriptorsMaria G Khrenova, Vladimir G Tsirelson, Alexander V Nemukhin
Journal of Bioinformatics and Computational Biology|August 14, 2025
NanoporeInspect: An interactive tool for evaluating nanopore sequencing quality and ligation efficiencyMaria A Grigoryeva, Maria G Khrenova, Maria I Zvereva
Journal of Computational Chemistry|July 2, 2015
Mechanism of proteolysis in matrix metalloproteinase-2 revealed by QM/MM modelingTatiana Vasilevskaya, Maria G Khrenova, Alexander V Nemukhin, et al.
Journal of Computational Chemistry|May 4, 2016
Methodological aspects of QM/MM calculations: A case study on matrix metalloproteinase-2Tatiana Vasilevskaya, Maria G Khrenova, Alexander V Nemukhin, et al.
The Journal of Physical Chemistry. B|September 17, 2015
Hydrolysis of Guanosine Triphosphate (GTP) by the Ras·GAP Protein Complex: Reaction Mechanism and Kinetic SchemeMaria G Khrenova, Bella L Grigorenko, Anatoly B Kolomeisky, et al.
Organic & Biomolecular Chemistry|December 8, 2023
Histidine-assisted reduction of arylnitrenes upon photo-activation of phenyl azide chromophores in GFP-like fluorescent proteinsBella L Grigorenko, Maria G Khrenova, D Dafydd Jones, et al.
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