Raugei S - Search Results

1

On the zwitterionic nature of gas-phase peptides and protein ions.

Marchese R, Grandori R, Carloni P, Raugei S. Marchese R, et al. Among authors: raugei s. PLoS Comput Biol. 2010 May 6;6(5):e1000775. doi: 10.1371/journal.pcbi.1000775. PLoS Comput Biol. 2010. PMID: 20463874 Free PMC article.

2

A computational model for protein ionization by electrospray based on gas-phase basicity.

Marchese R, Grandori R, Carloni P, Raugei S. Marchese R, et al. Among authors: raugei s. J Am Soc Mass Spectrom. 2012 Nov;23(11):1903-10. doi: 10.1007/s13361-012-0449-0. Epub 2012 Sep 20. J Am Soc Mass Spectrom. 2012. PMID: 22993040

3

A proficient enzyme: insights on the mechanism of orotidine monophosphate decarboxylase from computer simulations.

Raugei S, Cascella M, Carloni P. Raugei S, et al. J Am Chem Soc. 2004 Dec 8;126(48):15730-7. doi: 10.1021/ja0455143. J Am Chem Soc. 2004. PMID: 15571395

4

Structure and function of vanadium haloperoxidases.

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

5

Convergent dynamics in the protease enzymatic superfamily.

Carnevale V, Raugei S, Micheletti C, Carloni P. Carnevale V, et al. Among authors: raugei s. J Am Chem Soc. 2006 Aug 2;128(30):9766-72. doi: 10.1021/ja060896t. J Am Chem Soc. 2006. PMID: 16866533

6

Molecular simulation-based structural prediction of protein complexes in mass spectrometry: the human insulin dimer.

Li J, Rossetti G, Dreyer J, Raugei S, Ippoliti E, Lüscher B, Carloni P. Li J, et al. Among authors: raugei s. PLoS Comput Biol. 2014 Sep 11;10(9):e1003838. doi: 10.1371/journal.pcbi.1003838. eCollection 2014 Sep. PLoS Comput Biol. 2014. PMID: 25210764 Free PMC article.

7

Structure and Raman spectrum of clavulanic acid in aqueous solution.

Miani A, Raugei S, Carloni P, Helfand MS. Miani A, et al. Among authors: raugei s. 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

8

Molecular Dynamics in Physiological Solutions: Force Fields, Alkali Metal Ions, and Ionic Strength.

Zhang C, Raugei S, Eisenberg B, Carloni P. Zhang C, et al. Among authors: raugei s. J Chem Theory Comput. 2010 Jul 13;6(7):2167-75. doi: 10.1021/ct9006579. J Chem Theory Comput. 2010. PMID: 26615943

9

Large-scale motions and electrostatic properties of furin and HIV-1 protease.

Carnevale V, Raugei S, Micheletti C, Carloni P. Carnevale V, et al. Among authors: raugei s. J Phys Chem A. 2007 Dec 13;111(49):12327-32. doi: 10.1021/jp0751716. Epub 2007 Nov 15. J Phys Chem A. 2007. PMID: 18001009

10

Calculation of redox properties: understanding short- and long-range effects in rubredoxin.

Sulpizi M, Raugei S, VandeVondele J, Carloni P, Sprik M. Sulpizi M, et al. Among authors: raugei s. J Phys Chem B. 2007 Apr 19;111(15):3969-76. doi: 10.1021/jp067387y. Epub 2007 Mar 28. J Phys Chem B. 2007. PMID: 17388622

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