Rate-enhancing PETase mutations determined through DFT/MM molecular dynamics simulations

Rate-enhancing PETase mutations determined through DFT/MM molecular dynamics simulations

The PETase enzyme from the bacterium Ideonella sakaiensis can degrade polyethylene terephthalate (PET) back into its polymeric constituents at room temperature, making it an ecologically friendly tool for reducing PET pollution. Computational enzyme optimization is a fundamental tool to accelerate e...

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Detaylı Bibliyografya
Yazar: Jerves Vazquez, Fanny Carola
Materyal Türü: ARTÍCULO
Dil:es_ES
Baskı/Yayın Bilgisi: 2024
Konular:
Optimisations
Dynamics simulation
Enzymatic catalysis
Enzyme engineering
Fundamental tools
Green revolution
Induced transitions
Polymeric constituents
Reactive conformation
Transition state stabilization
Online Erişim:http://dspace.ucuenca.edu.ec/handle/123456789/44084
https://www.scopus.com/record/display.uri?eid=2-s2.0-85178288708&origin=resultslist&sort=plf-f&src=s&sid=29c0f40fe00edee53902660210b03abe&sot=b&sdt=b&s=TITLE-ABS-KEY%28Rate-enhancing+PETase+mutations+determined+through+DFT%2FMM+molecular+dynamics+simulations%29&sl=103&sessionSearchId=29c0f40fe00edee53902660210b03abe&relpos=0

Internet

http://dspace.ucuenca.edu.ec/handle/123456789/44084
https://www.scopus.com/record/display.uri?eid=2-s2.0-85178288708&origin=resultslist&sort=plf-f&src=s&sid=29c0f40fe00edee53902660210b03abe&sot=b&sdt=b&s=TITLE-ABS-KEY%28Rate-enhancing+PETase+mutations+determined+through+DFT%2FMM+molecular+dynamics+simulations%29&sl=103&sessionSearchId=29c0f40fe00edee53902660210b03abe&relpos=0

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