Alexander V. Nemukhin

Chemistry Moscow State University, Moskva, Moscow, Russia 
"Alexander Nemukhin"

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Viktor Ivanovich Spitsyn grad student 1969 Moscow State University
Nikolaj Federovich Stepanov grad student 1975 Moscow State University
 (PhD: 'Diatomic potential curves in molecular spectroscopy and atomic scattering')
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Sen T, Ma Y, Polyakov IV, et al. (2021) Interplay between Locally Excited and Charge Transfer States Governs the Photoswitching Mechanism in the Fluorescent Protein Dreiklang. The Journal of Physical Chemistry. B
Khrenova MG, Mulashkin FD, Bulavko ES, et al. (2020) Dipole Moment Variation Clears Up Electronic Excitations in the π-Stacked Complexes of Fluorescent Protein Chromophores. Journal of Chemical Information and Modeling. 60: 6288-6297
Khrenova MG, Tsirelson VG, Nemukhin AV. (2020) Dynamical properties of enzyme-substrate complexes disclose substrate specificity of the SARS-CoV-2 main protease as characterized by the electron density descriptors. Physical Chemistry Chemical Physics : Pccp. 22: 19069-19079
Polyakov IV, Kniga AE, Grigorenko BL, et al. (2020) Structure of the Brain -Acetylaspartate Biosynthetic Enzyme NAT8L Revealed by Computer Modeling. Acs Chemical Neuroscience. 11: 2296-2302
Khrenova MG, Kulakova AM, Nemukhin AV. (2020) Proof of concept for poor inhibitor binding and efficient formation of covalent adducts of KRAS and ARS compounds. Organic & Biomolecular Chemistry. 18: 3069-3081
Grigorenko BL, Polyakov IV, Krylov AI, et al. (2019) Computational Modeling Reveals the Mechanism of Fluorescent State Recovery in the Reversibly Photoswitchable Protein Dreiklang. The Journal of Physical Chemistry. B
Nemukhin AV, Grigorenko BL, Khrenova MG, et al. (2019) Computational Challenges in Modeling of Representative Bioimaging Proteins: GFP-Like Proteins, Flavoproteins, and Phytochromes. The Journal of Physical Chemistry. B
Grigorenko BL, Kots ED, Nemukhin AV. (2019) Diversity of mechanisms in Ras-GAP catalysis of guanosine triphosphate hydrolysis revealed by molecular modeling. Organic & Biomolecular Chemistry. 17: 4879-4891
Grigorenko BL, Novichkova DA, Lushchekina SV, et al. (2019) Computer-designed active human butyrylcholinesterase double mutant with a new catalytic triad. Chemico-Biological Interactions
Kots ED, Khrenova MG, Nemukhin AV. (2019) Allosteric Control of N-Acetyl-Aspartate Hydrolysis by the Y231C and F295S Mutants of Human Aspartoacylase. Journal of Chemical Information and Modeling. 59: 2299-2308
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