Head of Laboratory

Khrenova, Maria G

DSc in Chemistry, Professor
Publications
153
Citations
1340
h-index
21
Authorization required.
Lab team

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

  1. Theory of Quantum Mechanics/Molecular Mechanics (KM/MM)
  2. Molecular dynamics and quantum chemical calculations
Maria Khrenova
Head of Laboratory
Grigorenko, Bella L
Bella Grigorenko
Principal researcher
Krasnoshchekov, Sergey V
Sergey Krasnoshchekov
Leading researcher
Ustynyuk, Leila
Leila Ustynyuk
Senior Researcher
Alexander Moskovsky
Senior Researcher
Vladimir Mironov
Senior Researcher
Ermilov, Aleksandr Yuryevich
Aleksandr Ermilov
Senior Researcher
Domratcheva, T
T Domratcheva
Senior Researcher
Meteleshko, Yulia
Yulia Meteleshko
Junior researcher

Research directions

Modeling of the structure and properties of biomolecules for multicolored fluorescent imaging in living systems

+
Modeling of the structure and properties of biomolecules for multicolored fluorescent imaging in living systems
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

+
Molecular modeling of mechanisms of enzymatic phosphorylation-dephosphorylation reactions
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

+
Complexes of chromophores of fluorescent proteins
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

Partners

Lab address

Москва, Ленинские Горы, 1, стр. 3
Authorization required.