A. Kulakova

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Proof of concept for poor inhibitor binding and efficient formation of covalent adducts of KRASG12C and ARS compounds.

A. Nemukhin, M. Khrenova, A. M. Kulakova, 2020, Organic & biomolecular chemistry.

Modeling the Interplay of Poor Inhibitor Binding and Efficient Formation of a Covalent Adduct upon the Interaction of ARS Compounds with KRASᴳ¹²ᶜ

A. Nemukhin, M. Khrenova, A. M. Kulakova, 2019 .

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

Maria G. Khrenova, Alexander V. Nemukhin, Anna M. Kulakova, 2021, J. Chem. Inf. Model..

Influence of the leaving group on the mechanism of hydrolysis of organophosphorus compounds by phosphotriesterase from bacterium Pseudomonas diminuta

M. Khrenova, A. M. Kulakova, A. V. Nemukhin, 2022, Russian Chemical Bulletin.

Molecular mechanism of the cesium and rubidium selective binding to the calix[4]arene revealed by Born–Oppenheimer molecular dynamics simulation and electron density analysis

M. Khrenova, A. Kulakova, 2021 .

Molecular Mechanism of Light-Induced Acceleration of the Adenosine Triphosphate Conversion to the Cyclic Adenosine Monophosphate Catalyzed by the Photoactivated Adenylyl Cyclase bPAC

A. Nemukhin, M. Khrenova, A. M. Kulakova, 2020 .

Competition between two cysteines in covalent binding of biliverdin to phytochrome domains.

A. Nemukhin, M. Khrenova, A. Kulakova, 2018, Organic & biomolecular chemistry.

Solvothermal synthesis of colloidal solutions of Gd2O3:Eu luminescent nanoplates

Y. Tret’yakov, M. Sokolov, A. Vanetsev, 2011 .

Molecular polymorphism of human enzymes as the basis of individual sensitivity to drugs. Supercomputer-assisted modeling as a tool for analysis of structural changes and enzymatic activity of proteins

P. Masson, O. Lockridge, A. Nemukhin, 2016, Russian Chemical Bulletin.

Simulation of Spectra of Red Fluorescent Protein Mutants

A. Nemukhin, M. G. Khrenova, A. Kulakova, 2018, Moscow University Chemistry Bulletin.

Intermediates of the Autocatalytic Reaction of the Formation of a Chromophore in a Green Fluorescent Protein

B. Grigorenko, A. Nemukhin, M. Khrenova, 2020, Russian Journal of Physical Chemistry B.

Thomsen antigen in normal human tissues and tumors

P. N. Kosyakov, A. S. Kiseleva, A. Kulakova, 1983, Bulletin of Experimental Biology and Medicine.

Computational Modeling of the Interaction of Molecular Oxygen with the miniSOG Protein—A Light Induced Source of Singlet Oxygen

A. Nemukhin, A. Kulakova, Igor V. Polyakov, 2023, Biophysica.

Reconstructing the Electron Density of Intermediates of the Hydrolysis of N-Acetylaspartate by Aspartoacylase

A. Nemukhin, M. Khrenova, E. Kots, 2019, Russian Journal of Physical Chemistry A.

Modeling chemical transformations at the active sites of cholinesterases by quantum-based simulations

A. Nemukhin, S. Varfolomeev, S. Lushchekina, 2015, Moscow University Chemistry Bulletin.