Project of the month:
Thermal Isomerization of the Chromoprotein asFP595 and its Kindling Mutant Ala143Gly: QM/MM Molecular Dynamics Simulations
The Laboratory is a division of
Physical Chemistry Chair
Chemistry Department of
M.V. Lomonosov Moscow State University
Director of the laboratory is
Professor A.V. Nemukhin
247th American Chemical Society National Meeting and Exposition "Chemistry and materials for energy" , March 16-20, Dallas, TX
Talk: A.V. Nemukhin "QM/MM-based modeling of structure and spectra of fluorescent proteins"
Scholarships of Lomonosov Moscow State University for young teachers and researchers is awarded to Khrenova M.G.
XXV Symposium "Modern Physical Chemistry" , September 20 - October 1, Tuapse
Talk: A.V. Nemukhin "Challenges and achievements in computer modeling of properties of macromolecules"
Talk: M.G. Khrenova "Modeling proteolysis mechanism in matrix metalloproteinases"
Poster: M.G. Khrenova "Modeling mechanism of photoreaction in flavin containg proteins"
The First Russian Conference on Medicinal Chemistry , August 8-12, Moscow
Talk: A.V. Nemukhin "Computer Simulation of directed action of cholinesterases"
Poster: M.G. Khrenova "New inhibitors of matrix metalloproteinases based on the modeling of reaction mechanism"
The VIII Congress of the International Society for Theoretical Chemical Physics, August 25-31, Budapest, Hungary
Talk: A.V. Nemukhin "Modeling structure and spectra of fluorescent proteins"
Poster: M.G. Khrenova "Proteolysis mechanism in matrix metalloproteinases suggested by molecular modeling"
Poster: V.A. Mironov "Proteolysis mechanism in matrix metalloproteinases suggested by molecular modeling"
IV International Symposium "Topical Problems of Biophotonics", July 21-27, Nizhny Novgorod
Invited talk: M.G. Khrenova, A.V. Nemukhin, A.P. Savitsky "Molecular modeling of the Forster resonance energy transfer between fluorescent proteins"
38th FEBS (Federation of European Biochemical Societies) CONGRESS 2013 "Mechanisms in Biology", St. Petersburg, July 06-11
Invited talk: A.V. Nemukhin, B.L. Grigorenko, A.P. Savitsky "Quantum based simulations of structure and spectra of photoreceptor proteins"
Biocatalysis-2013, Moscow, July 2-7
Talk: A.V. Nemukhin "Molecular mechanisms of the enzymatic hydrolysis reactions of nucleotide triphosphates"
Talk: I.V. Polyakov "Quantum-based modeling of the acylation stage of acetylcholinesterase catalyzed hydrolyis of acetylcholine"
Talk: B.L. Grigorenko "Computational study of the mechanism of chromophore formation in fluorescent proteins"
Conference 7th Molecular Quantum Mechanics, June 2-7 Lugano, Switzerland
Poster: M.G. Khrenova, A.V. Nemukhin, A.P. Savitsky "Mechanism of the proteolysis of matrix metalloproteinases suggested by molecular modeling"
Poster: A.V.Nemukhin "QM/MM Treatment of enzymatic hydrolysis reactions: strengths and weaknesses"
PhD defence by Mironov V.A. "Modeling structures and properties of red fluorescent proteins using quantum chemistry methods and molecular dynamics"
PhD defence by Morozov D.I. "Realization of the algorythms of combined quantum mechanics|molecular mechanics and their applications for studying of the reaction mechanisms in solutions and proteins"
Conference SPIE Photonic West, February 2-6 San-Francisco, USA
Poster: M.G. Khrenova, A.V. Nemukhin, A.P. Savitsky "Molecular modeling of the Förster resonance energy transfer between FusionRed and Dedushka(eqFP670) fluorescent proteins "