Claudio Greco

Summary

Affiliation: Humboldt University
Country: Germany

Publications

  1. doi Mechanistic and physiological implications of the interplay among iron-sulfur clusters in [FeFe]-hydrogenases. A QM/MM perspective
    Claudio Greco
    Department of Biotechnology and Bioscience, University of Milan Bicocca, Piazza della Scienza 2, 20126, Milan, Italy
    J Am Chem Soc 133:18742-9. 2011
  2. doi Probing the effects of one-electron reduction and protonation on the electronic properties of the Fe-S clusters in the active-ready form of [FeFe]-hydrogenases. A QM/MM investigation
    Claudio Greco
    Department of Biotechnology and Biosciences, University of Milan Bicocca, Piazza della Scienza, 2 20126 Milan, Italy
    Chemphyschem 12:3376-82. 2011
  3. doi Isocyanide in biochemistry? A theoretical investigation of the electronic effects and energetics of cyanide ligand protonation in [FeFe]-hydrogenases
    Claudio Greco
    Department of Biotechnology and Biosciences, University of Milan Bicocca, Piazza della Scienza 2, 20126, Milan, Italy
    Chemistry 17:1954-65. 2011
  4. ncbi A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases
    Claudio Greco
    Department of Biotechnology and Biosciences, University of Milano Bicocca, Piazza della Scienza 2, 20126 Milano, Italy
    Inorg Chem 46:5911-21. 2007
  5. doi DFT/TDDFT exploration of the potential energy surfaces of the ground state and excited states of Fe2(S2C3H6)(CO)6: a simple functional model of the [FeFe] hydrogenase active site
    Luca Bertini
    Department of Biotechnology and Biosciences, Universita degli Studi di Milano Bicocca, Piazza della Scienza 2, 20126 Milan, Italy
    J Phys Chem A 113:5657-70. 2009
  6. ncbi 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
    Department of Biotechnology and Biosciences, University of Milano Bicocca, Piazza della Scienza 2, 20126 Milan, Italy
    Inorg Chem 46:108-16. 2007
  7. ncbi Structural insights into the active-ready form of [FeFe]-hydrogenase and mechanistic details of its inhibition by carbon monoxide
    Claudio Greco
    Department of Biotechnology and Biosciences, University of Milan Bicocca, Piazza della Scienza 2, 20126 Milan, Italy
    Inorg Chem 46:7256-8. 2007
  8. doi A theoretical study on the enhancement of functionally relevant electron transfers in biomimetic models of [FeFe]-hydrogenases
    Claudio Greco
    Department of Biotechnology and Biosciences, Milan Bicocca University, Piazza della Scienza 2, 20126, Milan, Italy
    Inorg Chem 50:6987-95. 2011
  9. ncbi Time-dependent density functional theory study of Fe2(CO)9 low-lying electronic excited states
    Luca Bertini
    , Piazza della Scienza 2, 20126 Milan, Italy
    J Phys Chem A 110:12900-7. 2006

Collaborators

Detail Information

Publications9

  1. doi Mechanistic and physiological implications of the interplay among iron-sulfur clusters in [FeFe]-hydrogenases. A QM/MM perspective
    Claudio Greco
    Department of Biotechnology and Bioscience, University of Milan Bicocca, Piazza della Scienza 2, 20126, Milan, Italy
    J Am Chem Soc 133:18742-9. 2011
    ..Hints for the design of targeted mutations that could lead to the enhancement of the oxidizing properties of DdH are proposed and discussed...
  2. doi Probing the effects of one-electron reduction and protonation on the electronic properties of the Fe-S clusters in the active-ready form of [FeFe]-hydrogenases. A QM/MM investigation
    Claudio Greco
    Department of Biotechnology and Biosciences, University of Milan Bicocca, Piazza della Scienza, 2 20126 Milan, Italy
    Chemphyschem 12:3376-82. 2011
    ....
  3. doi Isocyanide in biochemistry? A theoretical investigation of the electronic effects and energetics of cyanide ligand protonation in [FeFe]-hydrogenases
    Claudio Greco
    Department of Biotechnology and Biosciences, University of Milan Bicocca, Piazza della Scienza 2, 20126, Milan, Italy
    Chemistry 17:1954-65. 2011
    ....
  4. ncbi A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases
    Claudio Greco
    Department of Biotechnology and Biosciences, University of Milano Bicocca, Piazza della Scienza 2, 20126 Milano, Italy
    Inorg Chem 46:5911-21. 2007
    ....
  5. doi DFT/TDDFT exploration of the potential energy surfaces of the ground state and excited states of Fe2(S2C3H6)(CO)6: a simple functional model of the [FeFe] hydrogenase active site
    Luca Bertini
    Department of Biotechnology and Biosciences, Universita degli Studi di Milano Bicocca, Piazza della Scienza 2, 20126 Milan, Italy
    J Phys Chem A 113:5657-70. 2009
    ..Finally, the results of the exploration of the 6(1)A' and 9(1)A' high-lying excited PESs are discussed in light of the recent ultraviolet photolysis experiments on a...
  6. ncbi 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
    Department of Biotechnology and Biosciences, University of Milano Bicocca, Piazza della Scienza 2, 20126 Milan, Italy
    Inorg Chem 46:108-16. 2007
    ....
  7. ncbi Structural insights into the active-ready form of [FeFe]-hydrogenase and mechanistic details of its inhibition by carbon monoxide
    Claudio Greco
    Department of Biotechnology and Biosciences, University of Milan Bicocca, Piazza della Scienza 2, 20126 Milan, Italy
    Inorg Chem 46:7256-8. 2007
    ....
  8. doi A theoretical study on the enhancement of functionally relevant electron transfers in biomimetic models of [FeFe]-hydrogenases
    Claudio Greco
    Department of Biotechnology and Biosciences, Milan Bicocca University, Piazza della Scienza 2, 20126, Milan, Italy
    Inorg Chem 50:6987-95. 2011
    ..Similar results were also obtained with a ligand derived from cobaltocene. The relevance of our findings is discussed from the perspective of biomimetic reproduction of proton reduction to yield molecular hydrogen...
  9. ncbi Time-dependent density functional theory study of Fe2(CO)9 low-lying electronic excited states
    Luca Bertini
    , Piazza della Scienza 2, 20126 Milan, Italy
    J Phys Chem A 110:12900-7. 2006
    ..These results are discussed in light of the experimental data available...