Potential Energy Landscape of the Electronic States of the GFP Chromophore in Different Protonation Forms: Electronic Transition Energies and Conical Intersections
Polyakov, I. V, Grigorenko, B. L, Epifanovsky, E. M, Krylov, A. I, Nemukhin, A. V
Published in Journal of chemical theory and computation (10.08.2010)
Published in Journal of chemical theory and computation (10.08.2010)
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Journal Article
Quantum Chemistry Calculations Provide Support to the Mechanism of the Light-Induced Structural Changes in the Flavin-Binding Photoreceptor Proteins
Khrenova, M. G, Nemukhin, A. V, Grigorenko, B. L, Krylov, A. I, Domratcheva, T. M
Published in Journal of chemical theory and computation (10.08.2010)
Published in Journal of chemical theory and computation (10.08.2010)
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Journal Article
Flexible effective fragment QM/MM method: Validation through the challenging tests
Nemukhin, A. V., Grigorenko, B. L., Topol, I. A., Burt, S. K.
Published in Journal of computational chemistry (01.09.2003)
Published in Journal of computational chemistry (01.09.2003)
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Journal Article
Mechanism of Metallo-β-Lactamase Inhibition by Oxacephalosporin Antibiotic
Khrenova, M. G., Kulakova, A. M., Grigorenko, B. L., Nemukhin, A. V.
Published in Moscow University chemistry bulletin (01.07.2018)
Published in Moscow University chemistry bulletin (01.07.2018)
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Journal Article
Quantum chemical modelling in the research of molecular mechanisms of enzymatic catalysis
Nemukhin, Alexander V, Grigorenko, B L, Lushchekina, S V, Varfolomeev, Sergei D
Published in Russian chemical reviews (01.01.2012)
Published in Russian chemical reviews (01.01.2012)
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Journal Article
Simulated 18O kinetic isotope effects in enzymatic hydrolysis of guanosine triphosphate
Nemukhin, A. V., Shadrina, M. S., Grigorenko, B. L., Du, X.
Published in Biochemistry (Moscow) (01.09.2009)
Published in Biochemistry (Moscow) (01.09.2009)
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Journal Article
Formation of mixed d- and f-block metal clusters in inert matrices: comparison of the observed and theoretical optical spectra of AgHo
Klotzbücher, W.E., Petrukhina, M.A., Nemukhin, A.V., Ermilov, A.Yu, Grigorenko, B.L.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.04.2001)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.04.2001)
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Investigation of matrix-isolated species: spectroscopy and molecular modelling
Nemukhin, A V, Khriachtchev, L Yu, Grigorenko, B L, Bochenkova, A V, Räsänen, M
Published in Russian chemical reviews (31.12.2007)
Published in Russian chemical reviews (31.12.2007)
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Journal Article
Modeling of serine protease prototype reactions with the flexible effective fragment potential quantum mechanical/molecular mechanical method
Nemukhin, A. V., Grigorenko, B. L., Rogov, A. V., Topol, I. A., Burt, S. K.
Published in Theoretical chemistry accounts (01.02.2004)
Published in Theoretical chemistry accounts (01.02.2004)
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