Luca De Gioia

Overview

Best Publications

• Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: The myoglobin case

  Elena Papaleo;Paolo Mereghetti;Paolo Mereghetti;Piercarlo Fantucci;Rita Grandori

  584
  Citations

• Multimer Formation and Ligand Recognition by the Long Pentraxin PTX3 SIMILARITIES AND DIFFERENCES WITH THE SHORT PENTRAXINS C-REACTIVE PROTEIN AND SERUM AMYLOID P COMPONENT

  Barbara Bottazzi;Valérie Vouret-Craviari;Antonio Bastone;Luca De Gioia

  511
  Citations

• Tetracycline affects abnormal properties of synthetic PrP peptides and PrP(Sc) in vitro.

  Fabrizio Tagliavini;Gianluigi Forloni;Laura Colombo;Giacomina Rossi

  212
  Citations

• Chelate Control of Diiron(I) Dithiolates Relevant to the [Fe–Fe]-Hydrogenase Active Site

  Aaron K. Justice;Giuseppe Zampella;Luca De Gioia;Thomas B. Rauchfuss

  173
  Citations

• The cold-active lipase of Pseudomonas fragi. Heterologous expression, biochemical characterization and molecular modeling.

  Claudia Alquati;Luca De Gioia;Gianluca Santarossa;Lilia Alberghina

  169
  Citations

• A new nerve growth factor-mimetic peptide active on neuropathic pain in rats.

  Anna Maria Colangelo;Maria Rosaria Bianco;Luigi Vitagliano;Carlo Cavaliere

  162
  Citations

• Ligand versus metal protonation of an iron hydrogenase active site mimic

  Gerriet Eilers;Lennart Schwartz;Matthias Stein;Giuseppe Zampella

  158
  Citations

• Terminal vs bridging hydrides of diiron dithiolates: protonation of Fe2(dithiolate)(CO)2(PMe3)4.

  Riccardo Zaffaroni;Thomas B. Rauchfuss;Danielle L. Gray;Luca De Gioia

  133
  Citations

• A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases

  Claudio Greco;Maurizio Bruschi;Luca De Gioia;Ulf Ryde

  131
  Citations

• 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

  Maurizio Bruschi;Claudio Greco;Markus Kaukonen;Piercarlo Fantucci

  123
  Citations

• Reactivity of peroxo forms of the vanadium haloperoxidase cofactor. A DFT investigation.

  Giuseppe Zampella;Piercarlo Fantucci;Vincent L. Pecoraro;Luca De Gioia

  121
  Citations

• Purification, cDNA Cloning, and Tissue Distribution of Bovine Liver Aldehyde Oxidase

  Marco Li-Calzi;Carlo Raviolo;Elena Ghibaudi;Luca De Gioia

  119
  Citations

• Redox and structural properties of mixed-valence models for the active site of the [FeFe]-hydrogenase: progress and challenges.

  Aaron K. Justice;Luca De Gioia;Mark J. Nilges;Thomas B. Rauchfuss

  118
  Citations

• Insights into the Mechanism of Electrocatalytic Hydrogen Evolution Mediated by Fe2(S2C3H6)(CO)6: The Simplest Functional Model of the Fe-Hydrogenase Active Site

  Claudio Greco;Giuseppe Zampella;Luca Bertini;Maurizio Bruschi

  117
  Citations

• Density functional theory investigation of the active site of [Fe]-hydrogenases: effects of redox state and ligand characteristics on structural, electronic, and reactivity properties of complexes related to the [2Fe]H subcluster.

  Maurizio Bruschi;Piercarlo Fantucci;Luca De Gioia

  109
  Citations

• The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster

  Vincent Fourmond;Claudio Greco;Kateryna Sybirna;Carole Baffert

  109
  Citations

• Lactate production yield from engineered yeasts is dependent from the host background, the lactate dehydrogenase source and the lactate export

  Paola Branduardi;Michael Sauer;Luca De Gioia;Giuseppe Zampella

  107
  Citations

• DFT Investigation of Structural, Electronic, and Catalytic Properties of Diiron Complexes Related to the [2Fe]H Subcluster of Fe-Only Hydrogenases

  Maurizio Bruschi;Piercarlo Fantucci;Luca De Gioia

  105
  Citations

• Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations

  Luca Bertini;Raffaella Breglia;Matteo Lambrughi;Piercarlo Fantucci

  105
  Citations

• The yeast cyclin-dependent kinase inhibitor Sic1 and mammalian p27Kip1 are functional homologues with a structurally conserved inhibitory domain.

  Matteo Barberis;Luca De Gioia;Maria Ruzzene;Stefania Sarno

  102
  Citations

• Isomerization of the hydride complexes (HFe2(SR)2(PR3)x(CO)6-x) + (x = 2, 3, 4) relevant to the active site models for the (FeFe)- hydrogenases †

  Bryan E. Barton;Giuseppe Zampella;Aaron K. Justice;Luca De Gioia

  98
  Citations