De Gioia L - Search Results

1

Quantum mechanical methods for the investigation of metalloproteins and related bioinorganic compounds.

Bertini L, Bruschi M, Cosentino U, Greco C, Moro G, Zampella G, De Gioia L. Bertini L, et al. Among authors: de gioia l. Methods Mol Biol. 2014;1122:207-68. doi: 10.1007/978-1-62703-794-5_14. Methods Mol Biol. 2014. PMID: 24639262

2

DFT investigation of structural, electronic, and catalytic properties of diiron complexes related to the [2Fe](H) subcluster of Fe-only hydrogenases.

Bruschi M, Fantucci P, De Gioia L. Bruschi M, et al. Among authors: de gioia l. Inorg Chem. 2002 Mar 25;41(6):1421-9. doi: 10.1021/ic010770r. Inorg Chem. 2002. PMID: 11896710

3

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.

Bruschi M, Fantucci P, De Gioia L. Bruschi M, et al. Among authors: de gioia l. Inorg Chem. 2003 Jul 28;42(15):4773-81. doi: 10.1021/ic0262132. Inorg Chem. 2003. PMID: 12870970

4

Density functional theory investigation of the active site of Fe-hydrogenases. systematic study of the effects of redox state and ligands hardness on structural and electronic properties of complexes related to the [2Fe](H) subcluster.

Bruschi M, Fantucci P, De Gioia L. Bruschi M, et al. Among authors: de gioia l. Inorg Chem. 2004 Jun 14;43(12):3733-41. doi: 10.1021/ic035326y. Inorg Chem. 2004. PMID: 15180430

5

A theoretical study of spin states in Ni-S4 complexes and models of the [NiFe] hydrogenase active site.

Bruschi M, De Gioia L, Zampella G, Reiher M, Fantucci P, Stein M. Bruschi M, et al. Among authors: de gioia l. J Biol Inorg Chem. 2004 Oct;9(7):873-84. doi: 10.1007/s00775-004-0588-2. Epub 2004 Sep 9. J Biol Inorg Chem. 2004. PMID: 15365900

6

Dissecting the intimate mechanism of cyanation of {2Fe3S} complexes related to the active site of all-iron hydrogenases by DFT analysis of energetics, transition states, intermediates and products in the carbonyl substitution pathway.

Zampella G, Bruschi M, Fantucci P, Razavet M, Pickett CJ, De Gioia L. Zampella G, et al. Among authors: de gioia l. Chemistry. 2005 Jan 7;11(2):509-20. doi: 10.1002/chem.200400442. Chemistry. 2005. PMID: 15578644

7

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

Zampella G, Fantucci P, Pecoraro VL, De Gioia L. Zampella G, et al. Among authors: de gioia l. J Am Chem Soc. 2005 Jan 26;127(3):953-60. doi: 10.1021/ja046016x. J Am Chem Soc. 2005. PMID: 15656634

8

DFT Investigation of H2 activation by [M(NHPnPr3)('S3')] (M = Ni, Pd). Insight into key factors relevant to the design of hydrogenase functional models.

Zampella G, Bruschi M, Fantucci P, De Gioia L. Zampella G, et al. Among authors: de gioia l. J Am Chem Soc. 2005 Sep 28;127(38):13180-9. doi: 10.1021/ja0508424. J Am Chem Soc. 2005. PMID: 16173745

9

Identification and in silico analysis of a new group of double-histone fold-containing proteins.

Greco C, Sacco E, Vanoni M, De Gioia L. Greco C, et al. Among authors: de gioia l. J Mol Model. 2005 Dec;12(1):76-84. doi: 10.1007/s00894-005-0008-8. Epub 2005 Oct 25. J Mol Model. 2005. PMID: 16247600

10

In silico functional characterization of a double histone fold domain from the Heliothis zea virus 1.

Greco C, Fantucci P, De Gioia L. Greco C, et al. Among authors: de gioia l. BMC Bioinformatics. 2005 Dec 1;6 Suppl 4(Suppl 4):S15. doi: 10.1186/1471-2105-6-S4-S15. BMC Bioinformatics. 2005. PMID: 16351741 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

186 results

Search Page

Filters