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Seeking the Source of Catalytic Efficiency of Lindane Dehydrochlorinase, LinA

[Image: see text] Herein we present the results of an in-depth simulation study of LinA and its two variants. In our analysis, we combined the exploration of protein conformational dynamics with and without bound substrates (hexachlorocyclohexane (HCH) isomers) performed using molecular dynamics sim...

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Detalles Bibliográficos
Autores principales: Sowińska, Agata, Vasquez, Luis, Żaczek, Szymon, Manna, Rabindra Nath, Tuñón, Iñaki, Dybala-Defratyka, Agnieszka
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7681783/
https://www.ncbi.nlm.nih.gov/pubmed/33146535
http://dx.doi.org/10.1021/acs.jpcb.0c08976