Dokl Biochem Biophys, 2017, 475(1):245-249
Evolution of catalytic centers of antibodies by virtual screening of broad repertoire of mutants using supercomputer
It is proposed to perform quantum mechanical/molecular dynamics calculations of chemical reactions that are planned to be catalyzed by antibodies and then conduct a virtual screening of the library of potential antibody mutants to select an optimal biocatalyst. We tested the effectiveness of this approach by the example of hydrolysis of organophosphorus toxicant paraoxon using kinetic approaches and X-ray analysis of the antibody biocatalyst designed de novo.
Scopus: 2-s2.0-85028676411
: 28864894
IBCH: 3149
Ссылка на статью в журнале: http://link.springer.com/10.1134/S1607672917040019
Кол-во цитирований на 10.2023: 1
Данные статьи проверены модераторами 2017-07-01