Machine Learning-Enhanced Quantum Chemistry-Assisted Refinement of the Active Site Structure of Metalloproteins

Lucia Gigli, José Malanho Silva, Linda Cerofolini, Anjos L. Macedo, Carlos F.G.C. Geraldes, Elizaveta A. Suturina, Vito Calderone, Marco Fragai, Giacomo Parigi, Enrico Ravera, Claudio Luchinat

Research output: Contribution to journal › Article › peer-review

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