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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Bibliographic Details
Published in:J Phys Chem B
Main Authors: Sowińska, Agata, Vasquez, Luis, Żaczek, Szymon, Manna, Rabindra Nath, Tuñón, Iñaki, Dybala-Defratyka, Agnieszka
Format: Artigo
Language:Inglês
Published: American Chemical Society 2020
Online Access: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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