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Influence of Wobbling Tryptophan and Mutations on PET Degradation Explored by QM/MM Free Energy Calculations. (2024)

First Author: Jäckering A

Attributed to: Simulating catalysis: Multiscale embedding of machine learning potentials funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jcim.4c00776

PubMed Identifier: 39344272

Publication URI: http://europepmc.org/abstract/MED/39344272

Type: Journal Article/Review

Volume: 64

Parent Publication: Journal of chemical information and modeling

Issue: 19

ISSN: 1549-9596