Laboratory of Quantum Chemistry and Molecular Modeling
Authorization required.
Theoretical studies of the structure and dynamics of molecules (from low-atomic to biomolecules) and their complexes using methods of quantum chemistry and computer modeling
- Theory of Quantum Mechanics/Molecular Mechanics (KM/MM)
- Molecular dynamics and quantum chemical calculations
Maria Khrenova
Head of Laboratory
Bella Grigorenko
Principal researcher
Sergey Krasnoshchekov
Leading researcher
Leila Ustynyuk
Senior Researcher
Alexander Moskovsky
Senior Researcher
Vladimir Mironov
Senior Researcher
Aleksandr Ermilov
Senior Researcher
T Domratcheva
Senior Researcher
Igor Polyakov
Researcher
Anna Kulakova
Researcher
Yulia Meteleshko
Junior researcher
Egor Dobrolyubov
PhD student
Tatiana Mulashkina
PhD student
Research directions
Modeling of the structure and properties of biomolecules for multicolored fluorescent imaging in living systems
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In this topic, the structure and properties of fluorescent proteins are studied using quantum chemistry methods in order to improve their spectral properties
Molecular modeling of mechanisms of enzymatic phosphorylation-dephosphorylation reactions
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Phosphorylation/dephosphorylation reactions underlie many processes: from the inhibition of cholinesterases by organophosphorus warfare agents to the transmission of a cellular signal by RAS proteins
Complexes of chromophores of fluorescent proteins
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Investigation of the structure and various properties of chromophore complexes of fluorescent proteins by CM methods/MM and QTAIM in order to predict their spectral properties
Publications and patents
2022
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2024
| Григоренко Белла Людвиговна
2020
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2021
| Григоренко Белла Людвиговна
2017
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2019
| Григоренко Белла Людвиговна
Partners
Lab address
Москва, Ленинские Горы, 1, стр. 3
Authorization required.