Dr. Bella Grigorenko

Laboratory of Chemical Cybernetics,
Physical Chemistry Division,
Department of Chemistry,
M.V.Lomonosov Moscow State University,
Moscow 119991 Russian Federation

Education:

• M.Sc. in Physics (Solid State Physics), Department of Physics, M.V.Lomonosov Moscow State University
• Ph.D. in Physics and Mathematics (Solid State Physics), Department of Physics, M.V.Lomonosov Moscow State University
• Doctor of Sciences in Physics and Mathematics (Theoretical and Computational Chemistry), Department of Chemistry, M.V.Lomonosov Moscow State University

Fields of Specialization:

• Quantum Chemistry and Computational Chemistry

Supervisor of 5 Ph.D. theses on quantum and computational chemistry:

• 1998 - Ozhegova Natalia "Modeling Properties of the Trapped Molecules"
• 2006 - Rogov Alexander "Modeling mechanisms of enzymatic hydrolysis reactions by the combined quantum mechanical - molecular mechanical methods"
• 2008 - Shadrina Maria "Mechanism of enzymatic reactions of hydrolysis of guanosine triphosphate by results of molecular modeling"
• 2011 - Polyakov Igor "Potential energy surfaces and spectra of the chromophore of the green fluorescent protein: From gas phase to protein matrix"
• 2013 - Morozov Dmitry "Implementation of algorithms of combined quantum mechanics/molecular mechanics methods and applications to studies of reaction mechanism in solutions and biological systems"

Honors:

• 2010 - RUSNANO award within International Nanotechnology Forum Rusnanotech2010 for the project "Supercomputers in prognoses of properties of colored proteins"
Chairman of the Board of T-Platforms Group Vsevolod Opanasenko delivers the award to Dr. B. Grigorenko

 


Blogs

• Letter to the USA Ambassador on issuing US Visas for Russian scientists posted on site "Echo Moscow"
• Letter to the president of Russia. Posted on 30 July 2013 on site letters.kremlin.ru, registration number 672548 (31 July 2013)

 


Publications:

 

• All publications
• Resent publications:

90	First-Principles Characterization of the Energy Landscape and Optical Spectra of Green Fluorescent Protein along the A->I->B Proton Transfer Route Grigorenko B, Nemukhin A, Polyakov I, Morozov D, Krylov A // JOURNAL OF AMERICAN CHEMICAL SOCIETY, Articles ASAP
89	Triple-Decker Motif for Red-Shifted Fluorescent Protein Mutants Grigorenko B, Nemukhin A, Polyakov I, Krylov A // JOURNAL OF PHYSICAL CHEMISTRY LETTERS V4, N10, P1743-1747 (2013)
88	Unusual Emitting States of the Kindling Fluorescent Protein: Appearance of the Cationic Chromophore in the GFP Family Grigorenko B, Polyakov I, Nemukhin A, Savitsky A // JOURNAL OF PHYSICAL CHEMISTRY B V117, N24, P7228-7234 (2013)
87	On quantum mechanical - molecular mechanical (QM/MM) approaches to model hydrolysis of acetylcholine by acetylcholinesterase Nemukhin A, Grigorenko B, Morozov D, Kochetov M, Lushchekina S, Varfolomeev S // CHEMICO-BIOLOGICAL INTERACTIONS V203, N1 , P51-56 (2013)
86	Towards quantum-based modeling of enzymatic reaction pathways: Application to the acetylholinesterase catalysis Polyakov I, Grigorenko B, Moscovsky A, Pentkovski V, Nemukhin A // CHEMICAL PHYSICS LETTERS V556, P251-255 (2013)
85	Toward Molecular-Level Characterization of Photoinduced Decarboxylation of the Green Fluorescent Protein: Accessibility of the Charge-Transfer States Grigorenko B, Nemukhin A, Morozov D, Polyako I, Bravaya K, Krylov A // JOURNAL OF CHEMICAL THEORY AND COMPUTATION V8, N6 , P1912-1920 (2012)
84	Minimum energy reaction profiles for the hydrolysis reaction of the cyclic guanosine monophosphate in water: Comparison of the results of two QM/MM approaches Morozov D, Khrenova M, Andrijchenko N, Grigorenko B, Nemukhin A // COMPUTATIONAL AND THEORETICAL CHEMISTRY V983 88-94 (2012)
83	Quantum Chemistry Behind Bioimaging: Insights from Ab Initio Studies of Fluorescent Proteins and Their Chromophores Bravaya KB,Grigorenko BL, Nemukhin AV, Krylov AI // ACCOUNTS OF CHEMICAL RESEARCH, V45, P265-275 (2012)