Maria G. Khrenova

16 papers C 1Journal 14Unranked 1
YearRankTypeTitle / Venue / Authors
2025 J jnl
Enzymatic P-O Bond Cleavage: Criteria of Dissociative and Associative Mechanisms.
J. Chem. Inf. Model.
Tatiana I. Mulashkina, Anna M. Kulakova, Maria G. Khrenova
2025 J jnl
NanoporeInspect: An interactive tool for evaluating nanopore sequencing quality and ligation efficiency.
J. Bioinform. Comput. Biol.
Maria A. Grigoryeva, Maria G. Khrenova, Maria I. Zvereva
2024 J jnl
Molecular Basis of the Substrate Specificity of Phosphotriesterase from
J. Chem. Inf. Model.
Tatiana I. Mulashkina, Anna M. Kulakova, Maria G. Khrenova
2022 J jnl
Interplay between the Enamine and Imine Forms of the Hydrolyzed Imipenem in the Active Sites of Metallo-β-lactamases and in Water Solution.
J. Chem. Inf. Model.
Alexandra V. Krivitskaya, Maria G. Khrenova
2022 J jnl
Keto-enol tautomerism from the electron delocalization perspective.
J. Comput. Chem.
Elena O. Levina, Maria G. Khrenova, Andrey A. Astakhov, Vladimir G. Tsirelson
2021 J jnl
Light-Induced Change of Arginine Conformation Modulates the Rate of Adenosine Triphosphate to Cyclic Adenosine Monophosphate Conversion in the Optogenetic System Containing Photoactivated Adenylyl Cyclase.
J. Chem. Inf. Model.
Maria G. Khrenova, Anna M. Kulakova, Alexander V. Nemukhin
2021 J jnl
Modeling Spectral Tuning in Red Fluorescent Proteins Using the Dipole Moment Variation upon Excitation.
J. Chem. Inf. Model.
Maria G. Khrenova, Fedor D. Mulashkin, Alexander V. Nemukhin
2021 J jnl
The explicit role of electron exchange in the hydrogen bonded molecular complexes.
J. Comput. Chem.
Elena O. Levina, Maria G. Khrenova, Vladimir G. Tsirelson
2020 J jnl
Computational Characterization of the Substrate Activation in the Active Site of SARS-CoV-2 Main Protease.
Supercomput. Front. Innov.
Maria G. Khrenova, Vladimir G. Tsirelson, Alexander V. Nemukhin
2020 J jnl
Dipole Moment Variation Clears Up Electronic Excitations in the π-Stacked Complexes of Fluorescent Protein Chromophores.
J. Chem. Inf. Model.
Maria G. Khrenova, Fedor D. Mulashkin, Egor S. Bulavko, Tatiana M. Zakharova, Alexander V. Nemukhin
2019 J jnl
Allosteric Control of N-Acetyl-Aspartate Hydrolysis by the Y231C and F295S Mutants of Human Aspartoacylase.
J. Chem. Inf. Model.
Ekaterina D. Kots, Maria G. Khrenova, Alexander V. Nemukhin
2019 — conf
Large-Scale Prediction of the ARS Family Inhibitors of the Oncogenic KRAS
LSSC
Anna M. Kulakova, Anna V. Popinako, Maria G. Khrenova
2018 J jnl
Applications of High Performance Computing: Born-Oppenheimer Molecular Dynamics of Complex Formation in Aqueous Solutions.
Supercomput. Front. Innov.
Maria G. Khrenova, Dmitry P. Kapusta, Ilya V. Babchuk, Yulia I. Meteleshko
2016 J jnl
Methodological aspects of QM/MM calculations: A case study on matrix metalloproteinase-2.
J. Comput. Chem.
Tatiana Vasilevskaya, Maria G. Khrenova, Alexander V. Nemukhin, Walter Thiel
2015 J jnl
Mechanism of proteolysis in matrix metalloproteinase-2 revealed by QM/MM modeling.
J. Comput. Chem.
Tatiana Vasilevskaya, Maria G. Khrenova, Alexander V. Nemukhin, Walter Thiel
2015 C conf
On Quantum Chemistry Code Adaptation for RSC PetaStream Architecture.
ISC
Vladimir A. Mironov, Maria G. Khrenova, Alexander A. Moskovsky