QM/MM Study of the Enzymatic Biodegradation Mechanism of Polyethylene Terephthalate

Journal of Chemical Informatics and Modeling, 2021, 61, 3041–3051.

Boneta, S.; Arafet, K.; Moliner, V.

QM/MM Study of the Enzymatic Biodegradation Mechanism of Polyethylene Terephthalate.

Article page: https://pubs.acs.org/doi/10.1021/acs.jcim.1c00394