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Theranostics|March 1, 2012
FLIM-FRET Imaging of Caspase-3 Activity in Live Cells Using Pair of Red Fluorescent ProteinsAlexander P Savitsky, Alexander L Rusanov, Victoria V Zherdeva, et al.
Chemico-Biological Interactions|September 18, 2012
On quantum mechanical--molecular mechanical (QM/MM) approaches to model hydrolysis of acetylcholine by acetylcholinesteraseAlexander V Nemukhin, Bella L Grigorenko, Dmitry I Morozov, et al.
Journal of Chemical Theory and Computation|November 24, 2015
Toward Molecular-Level Characterization of Photoinduced Decarboxylation of the Green Fluorescent Protein: Accessibility of the Charge-Transfer StatesBella L Grigorenko, Alexander V Nemukhin, Dmitry I Morozov, et al.
Journal of Chemical Theory and Computation|December 1, 2015
Rigid-Body Molecular Dynamics of Fullerene-Based Nanocars on Metallic SurfacesSergei S Konyukhov, Ilya V Kupchenko, Alexander A Moskovsky, et al.
The Journal of Physical Chemistry. B|April 20, 2016
Modeling the Complete Catalytic Cycle of AspartoacylaseEkaterina D Kots, Maria G Khrenova, Sofya V Lushchekina, et al.
Proceedings of the National Academy of Sciences of the United States of America|April 18, 2007
Mechanism of the myosin catalyzed hydrolysis of ATP as rationalized by molecular modelingBella L Grigorenko, Alexander V Rogov, Igor A Topol, et al.
Frontiers in Pharmacology|March 30, 2018
Optimization of Cholinesterase-Based Catalytic Bioscavengers Against Organophosphorus AgentsSofya V Lushchekina, Lawrence M Schopfer, Bella L Grigorenko, et al.
Journal of the American Chemical Society|June 9, 2023
Multiscale Simulations of the Covalent Inhibition of the SARS-CoV-2 Main Protease: Four Compounds and Three Reaction MechanismsBella L Grigorenko, Igor V Polyakov, Maria G Khrenova, et al.
Chemical Reviews|October 19, 2016
Photoinduced Chemistry in Fluorescent Proteins: Curse or Blessing?Atanu Acharya, Alexey M Bogdanov, Bella L Grigorenko, et al.
The Journal of Physical Chemistry. A|March 24, 2006
Quantum chemical modeling of reaction mechanism for 2-oxoglutarate dependent enzymes: effect of substitution of iron by nickel and cobaltIgor A Topol, Alexander V Nemukhin, Konstantin Salnikow, et al.
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