Molecular-Level Mechanistic Insights into PETase-Catalyzed Plastics Hydrolysis from Accurate QM/MM Free Energy Calculations.

Berselli, Alessandro

doi:10.5281/zenodo.14697147

Published 2025 | Version v1

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Molecular-Level Mechanistic Insights into PETase-Catalyzed Plastics Hydrolysis from Accurate QM/MM Free Energy Calculations.

Berselli, Alessandro (Contact person)¹

1. University of Modena and Reggio Emilia

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Submitted: 2025-02

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Created: February 6, 2025
Modified: February 6, 2025

Molecular-Level Mechanistic Insights into PETase-Catalyzed Plastics Hydrolysis from Accurate QM/MM Free Energy Calculations.

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