Modern non-polarizable force fields diverge in modeling the enzyme–substrate complex of a canonical serine protease

Autor:	Julia Belyaeva, Alexander Zlobin, Valentina Maslova, Andrey Golovin
Rok vydání:	2023
Předmět:	General Physics and Astronomy Physical and Theoretical Chemistry
Zdroj:	Physical Chemistry Chemical Physics. 25:6352-6361
ISSN:	1463-9084 1463-9076
Popis:	Significantly diverging results may be obtained while modeling the behavior of an enzyme–substrate complex with modern non-polarizable force fields.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::a460471670ee90590feae4fb078c227f https://doi.org/10.1039/d2cp05502c Zobrazit plný text záznamu