Mechanistic Insight from Full Quantum Mechanical Modeling: Laccase as a Detoxifier of Aflatoxins
M. Zaccaria, W. Dawson, D. R. Kish, M. Reverberi, M. C. Bonaccorsi di Patti, M. Domin, V. Cristiglio, L. Dellafiora, F. Gabel, T. Nakajima, L. Genovese, B. Momeni
The paper uses quantum mechanical modeling to show that low steric affinity, not oxidative activity, limits laccase's ability to detoxify aflatoxins, identifying key residues for enzyme optimization.
bioRxiv · Dec 31, 2020 · PreprintBiophysics