Enviar artigo por via de e-mail Database of Intermediates of Enzyme-Catalyzed Chemical Reactions ENIAD
- Autores: Moskovsky A.1, Firsov D.1, Khrenova M.1,2, Mironov V.1, Mulashkina T.1, Kulakova A.1, Nemukhin A.1,3
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Afiliações:
- Moscow State University
- Federal Research Center of Biotechnology, Russian Academy of Sciences
- Institute of Biochemical Physics, Russian Academy of Sciences
- Edição: Volume 97, Nº 9 (2023)
- Páginas: 1324-1328
- Seção: ХЕМОИНФОРМАТИКА И КОМПЬЮТЕРНОЕ МОДЕЛИРОВАНИЕ
- URL: https://journals.rcsi.science/0044-4537/article/view/136666
- DOI: https://doi.org/10.31857/S0044453723090133
- EDN: https://elibrary.ru/XKQAYW
- ID: 136666
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Resumo
Enzymatic catalysis is characterized by multistage chemical reactions from enzyme-substrate complexes to products. In a number of cases, in the course of experimental studies, it is possible to characterize the structures and properties of intermediates of complex chemical reactions in proteins. The use of modern computer simulation methods makes it possible to significantly supplement the knowledge of the mechanisms of enzymatic catalysis reactions and provide detailed data on reaction intermediates, including structures with atomic resolution. The materials accumulated to date make it possible to create a unique dat-abase called ENIAD (ENzyme-In-Action-Databank). The article describes the principles of building the ENIAD database, as well as a multiplatform web interface for accessing data (https://lcc.chem.msu.ru/eniad/).
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Sobre autores
A. Moskovsky
Moscow State University
Email: anem@lcc.chem.msu.ru
Moscow, Russia
D. Firsov
Moscow State University
Email: anem@lcc.chem.msu.ru
Moscow, Russia
M. Khrenova
Moscow State University; Federal Research Center of Biotechnology, Russian Academy of Sciences
Email: anem@lcc.chem.msu.ru
Moscow, Russia; Moscow, Russia
V. Mironov
Moscow State University
Email: anem@lcc.chem.msu.ru
Moscow, Russia
T. Mulashkina
Moscow State University
Email: anem@lcc.chem.msu.ru
Moscow, Russia
A. Kulakova
Moscow State University
Email: anem@lcc.chem.msu.ru
Moscow, Russia
A. Nemukhin
Moscow State University; Institute of Biochemical Physics, Russian Academy of Sciences
Autor responsável pela correspondência
Email: anem@lcc.chem.msu.ru
Moscow, Russia; Moscow, Russia
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