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B. L. Grigorenko, M. A. Knyazeva, I. V. Plyakov, A. V. Nemukhin
Modeling
hydrolysis of the cyclic dimeric guanosine monophosphate by phosphodiesterases
Abstract
The structures of intermediates of the reaction of enzymatic hydrolysis
of the cyclic dimeric guanosine monophosphate are computed by using the quantum
mechanics -molecular mechanics (QM/MM) method. Tentative mechanisms of
transformations at the active site of catalytic domains of phosphodiesterases
are suggested by the results of simulations.
Key words: cyclic
diguanosine monophosphates, phosphodiesterases, QM/MM method.
Copyright (C) Chemistry Dept., Moscow State University, 2002
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