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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