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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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Detalhes bibliográficos
Publicado no:J Phys Chem B
Main Authors: Sowińska, Agata, Vasquez, Luis, Żaczek, Szymon, Manna, Rabindra Nath, Tuñón, Iñaki, Dybala-Defratyka, Agnieszka
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2020
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7681783/
https://ncbi.nlm.nih.gov/pubmed/33146535
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.0c08976
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