Machine Learning-Enhanced Quantum Chemistry-Assisted Refinement of the Active Site Structure of Metalloproteins
Gigli, Lucia, Silva, José Malanho, Cerofolini, Linda, Macedo, Anjos L., Geraldes, Carlos F. G. C., Suturina, Elizaveta A., Calderone, Vito, Fragai, Marco, Parigi, Giacomo, Ravera, Enrico, Luchinat, Claudio
Published in Inorganic chemistry (28.05.2024)
Published in Inorganic chemistry (28.05.2024)
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Journal Article
How Do Nuclei Couple to the Magnetic Moment of a Paramagnetic Center? A New Theory at the Gauntlet of the Experiments
Cerofolini, Linda, Silva, José Malanho, Ravera, Enrico, Romanelli, Maurizio, Geraldes, Carlos F. G. C, Macedo, Anjos L, Fragai, Marco, Parigi, Giacomo, Luchinat, Claudio
Published in The journal of physical chemistry letters (05.07.2019)
Published in The journal of physical chemistry letters (05.07.2019)
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Journal Article
Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase
Silva, José Malanho, Cerofolini, Linda, Carvalho, Ana Luísa, Ravera, Enrico, Fragai, Marco, Parigi, Giacomo, Macedo, Anjos L., Geraldes, Carlos F.G.C., Luchinat, Claudio
Published in Journal of inorganic biochemistry (01.07.2023)
Published in Journal of inorganic biochemistry (01.07.2023)
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Journal Article
NMR of Paramagnetic Proteins: 13C Derived Paramagnetic Relaxation Enhancements Are an Additional Source of Structural Information in Solution
Querci, Leonardo, Trindade, Inês B., Invernici, Michele, Silva, José Malanho, Cantini, Francesca, Louro, Ricardo O., Piccioli, Mario
Published in Magnetochemistry (26.02.2023)
Published in Magnetochemistry (26.02.2023)
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Journal Article
Non-crystallographic symmetry in proteins: Jahn–Teller-like and Butterfly-like effects?
Silva, José Malanho, Giuntini, Stefano, Cerofolini, Linda, Geraldes, Carlos F. G. C., Macedo, Anjos L., Ravera, Enrico, Fragai, Marco, Luchinat, Claudio, Calderone, Vito
Published in Journal of biological inorganic chemistry (01.02.2019)
Published in Journal of biological inorganic chemistry (01.02.2019)
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Journal Article
Paramagnetic NMR to study iron sulfur proteins: 13C detected experiments illuminate the vicinity of the metal center
Querci, Leonardo, Grifagni, Deborah, Trindade, Inês B., Silva, José Malanho, Louro, Ricardo O., Cantini, Francesca, Piccioli, Mario
Published in Journal of biomolecular NMR (01.12.2023)
Published in Journal of biomolecular NMR (01.12.2023)
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Journal Article
Metal centers in biomolecular solid-state NMR
Malanho Silva, José, Cerofolini, Linda, Giuntini, Stefano, Calderone, Vito, Geraldes, Carlos F.G.C., Macedo, Anjos L., Parigi, Giacomo, Fragai, Marco, Ravera, Enrico, Luchinat, Claudio
Published in Journal of structural biology (01.04.2019)
Published in Journal of structural biology (01.04.2019)
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Journal Article
Biochemical and cellular characterization of the CISD3 protein: Molecular bases of cluster release and destabilizing effects of nitric oxide
Grifagni, Deborah, Silva, José Malanho, Querci, Leonardo, Lepoivre, Michel, Vallières, Cindy, Louro, Ricardo O., Banci, Lucia, Piccioli, Mario, Golinelli-Cohen, Marie-Pierre, Cantini, Francesca
Published in The Journal of biological chemistry (01.03.2024)
Published in The Journal of biological chemistry (01.03.2024)
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Journal Article
NMR of Paramagnetic Proteins: [sup.13]C Derived Paramagnetic Relaxation Enhancements Are an Additional Source of Structural Information in Solution
Querci, Leonardo, Trindade, Inês B, Invernici, Michele, Silva, José Malanho, Cantini, Francesca, Louro, Ricardo O, Piccioli, Mario
Published in Magnetochemistry (01.03.2023)
Published in Magnetochemistry (01.03.2023)
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Journal Article