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Electron‐conformational interactions and functioning of enzyme molecules
Author(s) -
Volkenstein M. V.,
Golovanov I. B.,
Sobolev V. M.
Publication year - 1979
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560160409
Subject(s) - chemistry , enzyme , substrate (aquarium) , chemical physics , electron , computational chemistry , molecule , physics , biochemistry , organic chemistry , quantum mechanics , biology , ecology
Electron‐configuration interaction is one of the most general physicochemical approaches used to explain an enzymes functioning. Studying enzymatic reactions requires investigation of the motions of nuclei on a certain PES . In order to obtain the shape of the PES numerous calculations of the total energy of the enzyme–substrate complex were calculated, and are presented in this paper.