RESEARCH ARTICLE · Inorganic Chemistry · 2024
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, V. Calderone, Marco Fragai, Giacomo Parigi, Enrico Ravera, Claudio Luchinat
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