Carloni P - Search Results

1

The hydrolysis mechanism of the anticancer ruthenium drugs NAMI-A and ICR investigated by DFT-PCM calculations.

Vargiu AV, Robertazzi A, Magistrato A, Ruggerone P, Carloni P. Vargiu AV, et al. Among authors: carloni p. J Phys Chem B. 2008 Apr 10;112(14):4401-9. doi: 10.1021/jp710078y. Epub 2008 Mar 19. J Phys Chem B. 2008. PMID: 18348562

2

Binding of phosphinate and phosphonate inhibitors to aspartic proteases: a first-principles study.

Vidossich P, Carloni P. Vidossich P, et al. Among authors: carloni p. J Phys Chem B. 2006 Jan 26;110(3):1437-42. doi: 10.1021/jp0544639. J Phys Chem B. 2006. PMID: 16471695

3

Binding of novel azole-bridged dinuclear platinum(II) anticancer drugs to DNA: insights from hybrid QM/MM molecular dynamics simulations.

Magistrato A, Ruggerone P, Spiegel K, Carloni P, Reedijk J. Magistrato A, et al. Among authors: carloni p. J Phys Chem B. 2006 Mar 2;110(8):3604-13. doi: 10.1021/jp054828p. J Phys Chem B. 2006. PMID: 16494416

4

Structure and function of vanadium haloperoxidases.

Raugei S, Carloni P. Raugei S, et al. Among authors: carloni p. J Phys Chem B. 2006 Mar 2;110(8):3747-58. doi: 10.1021/jp054901b. J Phys Chem B. 2006. PMID: 16494433

5

Anthramycin-DNA binding explored by molecular simulations.

Vargiu AV, Ruggerone P, Magistrato A, Carloni P. Vargiu AV, et al. Among authors: carloni p. J Phys Chem B. 2006 Dec 7;110(48):24687-95. doi: 10.1021/jp063155n. J Phys Chem B. 2006. PMID: 17134232

6

Role of protein frame and solvent for the redox properties of azurin from Pseudomonas aeruginosa.

Cascella M, Magistrato A, Tavernelli I, Carloni P, Rothlisberger U. Cascella M, et al. Among authors: carloni p. Proc Natl Acad Sci U S A. 2006 Dec 26;103(52):19641-6. doi: 10.1073/pnas.0607890103. Epub 2006 Dec 18. Proc Natl Acad Sci U S A. 2006. PMID: 17179046 Free PMC article.

7

Catabolite activator protein in aqueous solution: a molecular simulation study.

Berrera M, Pantano S, Carloni P. Berrera M, et al. Among authors: carloni p. J Phys Chem B. 2007 Feb 15;111(6):1496-501. doi: 10.1021/jp0667893. Epub 2007 Jan 23. J Phys Chem B. 2007. PMID: 17243667

8

Structure and Raman spectrum of clavulanic acid in aqueous solution.

Miani A, Raugei S, Carloni P, Helfand MS. Miani A, et al. Among authors: carloni p. J Phys Chem B. 2007 Mar 15;111(10):2621-30. doi: 10.1021/jp066135u. Epub 2007 Feb 16. J Phys Chem B. 2007. PMID: 17302447

9

Investigating biological systems using first principles Car-Parrinello molecular dynamics simulations.

Dal Peraro M, Ruggerone P, Raugei S, Gervasio FL, Carloni P. Dal Peraro M, et al. Among authors: carloni p. Curr Opin Struct Biol. 2007 Apr;17(2):149-56. doi: 10.1016/j.sbi.2007.03.018. Epub 2007 Apr 6. Curr Opin Struct Biol. 2007. PMID: 17419051 Review.

10

Density functional theory studies on copper phenanthroline complexes.

Robertazzi A, Magistrato A, de Hoog P, Carloni P, Reedijk J. Robertazzi A, et al. Among authors: carloni p. Inorg Chem. 2007 Jul 23;46(15):5873-81. doi: 10.1021/ic0618908. Epub 2007 Jun 22. Inorg Chem. 2007. PMID: 17585756

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