Redox Potentials of Small Inorganic Radicals and Hexa-Aquo Complexes of First-Row Transition Metals in Water: A DFT Study Based on the Grand Canonical Ensemble
Arrigoni, Federica, Breglia, Raffaella, Gioia, Luca De, Bruschi, Maurizio, Fantucci, Piercarlo
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.08.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.08.2019)
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Photocatalytic Hydrogen Evolution Driven by [FeFe] Hydrogenase Models Tethered to Fluorene and Silafluorene Sensitizers
Goy, Roman, Bertini, Luca, Rudolph, Tobias, Lin, Shu, Schulz, Martin, Zampella, Giuseppe, Dietzek, Benjamin, Schacher, Felix H., De Gioia, Luca, Sakai, Ken, Weigand, Wolfgang
Published in Chemistry : a European journal (05.01.2017)
Published in Chemistry : a European journal (05.01.2017)
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The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster
Fourmond, Vincent, Greco, Claudio, Sybirna, Kateryna, Baffert, Carole, Wang, Po-Hung, Ezanno, Pierre, Montefiori, Marco, Bruschi, Maurizio, Meynial-Salles, Isabelle, Soucaille, Philippe, Blumberger, Jochen, Bottin, Hervé, De Gioia, Luca, Léger, Christophe
Published in Nature chemistry (01.04.2014)
Published in Nature chemistry (01.04.2014)
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Influence of the [2Fe]H Subcluster Environment on the Properties of Key Intermediates in the Catalytic Cycle of [FeFe] Hydrogenases: Hints for the Rational Design of Synthetic Catalysts
Bruschi, Maurizio, Greco, Claudio, Kaukonen, Markus, Fantucci, Piercarlo, Ryde, Ulf, De Gioia, Luca
Published in Angewandte Chemie (International ed.) (27.04.2009)
Published in Angewandte Chemie (International ed.) (27.04.2009)
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Journal Article
Synthesis of the H-cluster framework of iron-only hydrogenase
Pickett, Christopher J, Tard, Cédric, Liu, Xiaoming, Ibrahim, Saad K, Bruschi, Maurizio, Gioia, Luca De, Davies, Siân C, Yang, Xin, Wang, Lai-Sheng, Sawers, Gary
Published in Nature (10.02.2005)
Published in Nature (10.02.2005)
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Fast generation of broken-symmetry states in a large system including multiple iron-sulfur assemblies: Investigation of QM/MM energies, clusters charges, and spin populations
Greco, Claudio, Fantucci, Piercarlo, Ryde, Ulf, Gioia, Luca de
Published in International journal of quantum chemistry (15.11.2011)
Published in International journal of quantum chemistry (15.11.2011)
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Journal Article
Ligand versus Metal Protonation of an Iron Hydrogenase Active Site Mimic
Eilers, Gerriet, Schwartz, Lennart, Stein, Matthias, Zampella, Giuseppe, de Gioia, Luca, Ott, Sascha, Lomoth, Reiner
Published in Chemistry : a European journal (01.01.2007)
Published in Chemistry : a European journal (01.01.2007)
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Journal Article
Evolutionary Analysis Provides Insight Into the Origin and Adaptation of HCV
Forni, Diego, Cagliani, Rachele, Pontremoli, Chiara, Pozzoli, Uberto, Vertemara, Jacopo, De Gioia, Luca, Clerici, Mario, Sironi, Manuela
Published in Frontiers in microbiology (01.05.2018)
Published in Frontiers in microbiology (01.05.2018)
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Electrochemical and Theoretical Investigations of the Role of the Appended Base on the Reduction of Protons by [Fe2(CO)4(κ2-PNPR)(μ-S(CH2)3S] (PNPR={Ph2PCH2}2NR, R=Me, Ph)
Lounissi, Sondes, Zampella, Giuseppe, Capon, Jean-François, De Gioia, Luca, Matoussi, Fatma, Mahfoudhi, Sélim, Pétillon, François Y., Schollhammer, Philippe, Talarmin, Jean
Published in Chemistry : a European journal (27.08.2012)
Published in Chemistry : a European journal (27.08.2012)
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Journal Article
Compaction Properties of an Intrinsically Disordered Protein: Sic1 and Its Kinase-Inhibitor Domain
Brocca, Stefania, Testa, Lorenzo, Sobott, Frank, Šamalikova, Maria, Natalello, Antonino, Papaleo, Elena, Lotti, Marina, De Gioia, Luca, Doglia, Silvia Maria, Alberghina, Lilia, Grandori, Rita
Published in Biophysical journal (04.05.2011)
Published in Biophysical journal (04.05.2011)
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Journal Article
Functionally Relevant Interplay between the Fe4S4 Cluster and CN− Ligands in the Active Site of [FeFe]-Hydrogenases
Bruschi, Maurizio, Greco, Claudio, Bertini, Luca, Fantucci, Piercarlo, Ryde, Ulf, Gioia, Luca De
Published in Journal of the American Chemical Society (14.04.2010)
Published in Journal of the American Chemical Society (14.04.2010)
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Journal Article
Lewis vs. Brønsted-basicities of diiron dithiolates: spectroscopic detection of the "rotated structure" and remarkable effects of ethane- vs. propanedithiolate
Justice, Aaron K, Zampella, Giuseppe, De Gioia, Luca, Rauchfuss, Thomas B
Published in Chemical communications (Cambridge, England) (01.01.2007)
Published in Chemical communications (Cambridge, England) (01.01.2007)
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Journal Article
New FeI-FeI Complex Featuring a Rotated Conformation Related to the [2 Fe]H Subsite of [Fe-Fe] Hydrogenase
Munery, Sabrina, Capon, Jean-François, De Gioia, Luca, Elleouet, Catherine, Greco, Claudio, Pétillon, François Y., Schollhammer, Philippe, Talarmin, Jean, Zampella, Giuseppe
Published in Chemistry : a European journal (11.11.2013)
Published in Chemistry : a European journal (11.11.2013)
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Journal Article
H2 Activation in [FeFe]‐Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry
Arrigoni, Federica, Bertini, Luca, Bruschi, Maurizio, Greco, Claudio, De Gioia, Luca, Zampella, Giuseppe
Published in Chemistry : a European journal (24.01.2019)
Published in Chemistry : a European journal (24.01.2019)
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Journal Article
H 2 Activation in [FeFe]-Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry
Arrigoni, Federica, Bertini, Luca, Bruschi, Maurizio, Greco, Claudio, De Gioia, Luca, Zampella, Giuseppe
Published in Chemistry : a European journal (24.01.2019)
Published in Chemistry : a European journal (24.01.2019)
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Journal Article
Mechanism of RGD-conjugated nanodevice binding to its target protein integrin αVβ3 by atomistic molecular dynamics and machine learning
Frigerio, Giulia, Donadoni, Edoardo, Siani, Paulo, Vertemara, Jacopo, Motta, Stefano, Bonati, Laura, De Gioia, Luca, Cristiana Di Valentin
Published in Nanoscale (22.02.2024)
Published in Nanoscale (22.02.2024)
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Journal Article
Lactate production yield from engineered yeasts is dependent from the host background, the lactate dehydrogenase source and the lactate export
Branduardi, Paola, Sauer, Michael, De Gioia, Luca, Zampella, Giuseppe, Valli, Minoska, Mattanovich, Diethard, Porro, Danilo
Published in Microbial cell factories (30.01.2006)
Published in Microbial cell factories (30.01.2006)
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Journal Article
DNA-binding protects p53 from interactions with cofactors involved in transcription-independent functions
Lambrughi, Matteo, De Gioia, Luca, Gervasio, Francesco Luigi, Lindorff-Larsen, Kresten, Nussinov, Ruth, Urani, Chiara, Bruschi, Maurizio, Papaleo, Elena
Published in Nucleic acids research (02.11.2016)
Published in Nucleic acids research (02.11.2016)
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Journal Article
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes
Rovaletti, Anna, De Gioia, Luca, Fantucci, Piercarlo, Greco, Claudio, Vertemara, Jacopo, Zampella, Giuseppe, Arrigoni, Federica, Bertini, Luca
Published in International journal of molecular sciences (28.03.2023)
Published in International journal of molecular sciences (28.03.2023)
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