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Article

Application of an alchemical free energy method for the prediction of thermostable DuraPETase variants.

Applied microbiology and biotechnology - 21 Apr 2024

Schreiber Sebastian, Gercke David, Lenz Florian, Jose Joachim

Abstract excerpt

Non-equilibrium (NEQ) alchemical free energy calculations are an emerging tool for accurately predicting changes in protein folding free energy resulting from amino acid mutations. In this study, this method in combination with the Rosetta ddg monomer tool was applied to predict more thermostable variants of the polyethylene terephthalate (PET) degrading enzyme DuraPETase. The Rosetta ddg monomer tool efficiently...

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PMID: 38643427
DOI: 10.1007/s00253-024-13144-z
PMCID: PMC11033240

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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