Ruggerone P - Search Results

1

Molecular simulations of SSTR2 dynamics and interaction with ligands.

Gervasoni S, Guccione C, Fanti V, Bosin A, Cappellini G, Golosio B, Ruggerone P, Malloci G. Gervasoni S, et al. Among authors: ruggerone p. Sci Rep. 2023 Mar 23;13(1):4768. doi: 10.1038/s41598-023-31823-1. Sci Rep. 2023. PMID: 36959237 Free PMC article.

2

Anthramycin-DNA binding explored by molecular simulations.

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

3

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

4

Functional rotation of the transporter AcrB: insights into drug extrusion from simulations.

Schulz R, Vargiu AV, Collu F, Kleinekathöfer U, Ruggerone P. Schulz R, et al. Among authors: ruggerone p. PLoS Comput Biol. 2010 Jun 10;6(6):e1000806. doi: 10.1371/journal.pcbi.1000806. PLoS Comput Biol. 2010. PMID: 20548943 Free PMC article.

5

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.

6

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

7

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

8

Advanced computational methods in molecular medicine.

Giorgetti A, Ruggerone P, Pantano S, Carloni P. Giorgetti A, et al. Among authors: ruggerone p. J Biomed Biotechnol. 2012;2012:709085. doi: 10.1155/2012/709085. Epub 2012 May 20. J Biomed Biotechnol. 2012. PMID: 22675255 Free PMC article. No abstract available.

9

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

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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