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
- University of Florence
- Consorzio Interuniversitario Risonanze Magnetiche MetalloProteine (CIRMMP)
- Universidade Nova de Lisboa
- FCTUC
- Universidade de Coimbra
- Giotto Biotech S.r.l.
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