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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...
Autores principales: | Sowińska, Agata, Vasquez, Luis, Żaczek, Szymon, Manna, Rabindra Nath, Tuñón, Iñaki, Dybala-Defratyka, Agnieszka |
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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 |
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