Maria G. Khrenova
Orcid: 0000-0001-7117-3089
According to our database1,
Maria G. Khrenova
authored at least 13 papers
between 2015 and 2022.
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Bibliography
2022
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., 2022
J. Comput. Chem., 2022
2021
Modeling Spectral Tuning in Red Fluorescent Proteins Using the Dipole Moment Variation upon Excitation.
J. Chem. Inf. Model., 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 Cyclase.
J. Chem. Inf. Model., 2021
J. Comput. Chem., 2021
2020
Computational Characterization of the Substrate Activation in the Active Site of SARS-CoV-2 Main Protease.
Supercomput. Front. Innov., 2020
Dipole Moment Variation Clears Up Electronic Excitations in the π-Stacked Complexes of Fluorescent Protein Chromophores.
J. Chem. Inf. Model., 2020
2019
Allosteric Control of N-Acetyl-Aspartate Hydrolysis by the Y231C and F295S Mutants of Human Aspartoacylase.
J. Chem. Inf. Model., 2019
Large-Scale Prediction of the ARS Family Inhibitors of the Oncogenic KRAS<sup>G12C</sup> Mutant.
Proceedings of the Large-Scale Scientific Computing - 12th International Conference, 2019
2018
Applications of High Performance Computing: Born-Oppenheimer Molecular Dynamics of Complex Formation in Aqueous Solutions.
Supercomput. Front. Innov., 2018
2016
Methodological aspects of QM/MM calculations: A case study on matrix metalloproteinase-2.
J. Comput. Chem., 2016
2015
J. Comput. Chem., 2015
Proceedings of the High Performance Computing - 30th International Conference, 2015