... asFP595 and its Kindling Mutant Ala143Gly: QM/MM Molecular Dynamics Simulations ... Talk: A.V. Nemukhin "Computer Simulation of directed action of cholinesterases ... A.P. Savitsky "Quantum based simulations of structure and spectra of photoreceptor ...
... any field of Chemistry interesting for simulations and do not restrict ourselves to ... QM/MM simulations of uniquinone reduction in bacterial photosynthetic reaction ...
... Cis-Trans Isomerization in W ater Polyakov I, Epifanovsky E, Grigorenko BL, Krylov AI, Nemukhin AV // JOURNAL OF CHEMICAL THEORY AND COMPUTATION V5, N7, P1907-1914 (2009) 66 Opening the Arg-Glu salt bridge in myosin: computational study...
... The flexible effective fragment QM/MM method is used to simulate the mechanism of dioxygen activation by the factor-inhibiting hypoxia-inducible factor (FIH) enzymes. ...
... Federation of European Biochemical Societies) CONGRESS 2013 "Mechanisms in Biology", 6-11 июля Санкт-Петербург Приглашенный доклад: А.В. Немухин , Б.Л. Григоренко, А.П. Савицкий "Quantum based simulations of structure and spectra of photoreceptor proteins ...
... Moskovsky A.A. Nemukhin A.V. Modeling solvation sites in rare-gas matri-ces with the simulated annealing Monte Carlo technique PDF,402 K . J. Chem. ...
... of enzymes active at unusual conditions (low pH, high T) ·Cleavage of insulin ·A novel enzymatic mechanism (confirmed by our simulations) Ser287 Glu80 Asp84 The mechanism of the first stage ES EA shares features of that from serine proteases and aspartic ...