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)
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