Ruggerone P - Search Results

1

Interaction of Radiopharmaceuticals with Somatostatin Receptor 2 Revealed by Molecular Dynamics Simulations.

Gervasoni S, Öztürk I, Guccione C, Bosin A, Ruggerone P, Malloci G. Gervasoni S, et al. Among authors: ruggerone p. J Chem Inf Model. 2023 Aug 14;63(15):4924-4933. doi: 10.1021/acs.jcim.3c00712. Epub 2023 Jul 19. J Chem Inf Model. 2023. PMID: 37466559 Free PMC article.

2

Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure.

Spiegel K, Magistrato A, Maurer P, Ruggerone P, Rothlisberger U, Carloni P, Reedijk J, Klein ML. Spiegel K, et al. Among authors: ruggerone p. J Comput Chem. 2008 Jan 15;29(1):38-49. doi: 10.1002/jcc.20739. J Comput Chem. 2008. PMID: 17705162

3

Role of water during the extrusion of substrates by the efflux transporter AcrB.

Schulz R, Vargiu AV, Ruggerone P, Kleinekathöfer U. Schulz R, et al. Among authors: ruggerone p. J Phys Chem B. 2011 Jun 30;115(25):8278-87. doi: 10.1021/jp200996x. Epub 2011 Jun 9. J Phys Chem B. 2011. PMID: 21657235

4

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: ruggerone 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

5

Folding and self-assembly of the TatA translocation pore based on a charge zipper mechanism.

Walther TH, Gottselig C, Grage SL, Wolf M, Vargiu AV, Klein MJ, Vollmer S, Prock S, Hartmann M, Afonin S, Stockwald E, Heinzmann H, Nolandt OV, Wenzel W, Ruggerone P, Ulrich AS. Walther TH, et al. Among authors: ruggerone p. Cell. 2013 Jan 17;152(1-2):316-26. doi: 10.1016/j.cell.2012.12.017. Cell. 2013. PMID: 23332763 Free article.

6

Facilitated permeation of antibiotics across membrane channels--interaction of the quinolone moxifloxacin with the OmpF channel.

Mach T, Neves P, Spiga E, Weingart H, Winterhalter M, Ruggerone P, Ceccarelli M, Gameiro P. Mach T, et al. Among authors: ruggerone p. J Am Chem Soc. 2008 Oct 8;130(40):13301-9. doi: 10.1021/ja803188c. Epub 2008 Sep 13. J Am Chem Soc. 2008. PMID: 18788798

7

A novel dendrimeric peptide with antimicrobial properties: structure-function analysis of SB056.

Scorciapino MA, Pirri G, Vargiu AV, Ruggerone P, Giuliani A, Casu M, Buerck J, Wadhwani P, Ulrich AS, Rinaldi AC. Scorciapino MA, et al. Among authors: ruggerone p. Biophys J. 2012 Mar 7;102(5):1039-48. doi: 10.1016/j.bpj.2012.01.048. Epub 2012 Mar 6. Biophys J. 2012. PMID: 22404926 Free PMC article.

8

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: ruggerone 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.

9

Recognition of imipenem and meropenem by the RND-transporter MexB studied by computer simulations.

Collu F, Vargiu AV, Dreier J, Cascella M, Ruggerone P. Collu F, et al. Among authors: ruggerone p. J Am Chem Soc. 2012 Nov 21;134(46):19146-58. doi: 10.1021/ja307803m. Epub 2012 Nov 12. J Am Chem Soc. 2012. PMID: 23146101

10

Sliding of alkylating anticancer drugs along the minor groove of DNA: new insights on sequence selectivity.

Vargiu AV, Ruggerone P, Magistrato A, Carloni P. Vargiu AV, et al. Among authors: ruggerone p. Biophys J. 2008 Jan 15;94(2):550-61. doi: 10.1529/biophysj.107.113308. Biophys J. 2008. PMID: 18160662 Free PMC article.

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