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Article

Influence of Wobbling Tryptophan and Mutations on PET Degradation Explored by QM/MM Free Energy Calculations.

Journal of chemical information and modeling - 14 Oct 2024

Jäckering Anna, van der Kamp Marc, Strodel Birgit, Zinovjev Kirill

Abstract excerpt

Plastic-degrading enzymes, particularly poly(ethylene terephthalate) (PET) hydrolases, have garnered significant attention in recent years as potential eco-friendly solutions for recycling plastic waste. However, understanding of their PET-degrading activity and influencing factors remains incomplete, impeding the development of uniform approaches for enhancing PET hydrolases for industrial applications. A key...

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Identifiers

PMID: 39344272
DOI: 10.1021/acs.jcim.4c00776
PMCID: PMC11480989

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