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Page 1
Molecular basis of cyclooxygenase enzymes (COXs) selective inhibition.
Limongelli V, Bonomi M, Marinelli L, Gervasio FL, Cavalli A, Novellino E, Parrinello M. Limongelli V, et al. Proc Natl Acad Sci U S A. 2010 Mar 23;107(12):5411-6. doi: 10.1073/pnas.0913377107. Epub 2010 Mar 9. Proc Natl Acad Sci U S A. 2010. PMID: 20215464 Free PMC article.
Sampling protein motion and solvent effect during ligand binding.
Limongelli V, Marinelli L, Cosconati S, La Motta C, Sartini S, Mugnaini L, Da Settimo F, Novellino E, Parrinello M. Limongelli V, et al. Proc Natl Acad Sci U S A. 2012 Jan 31;109(5):1467-72. doi: 10.1073/pnas.1112181108. Epub 2012 Jan 11. Proc Natl Acad Sci U S A. 2012. PMID: 22238423 Free PMC article.
The G-triplex DNA.
Limongelli V, De Tito S, Cerofolini L, Fragai M, Pagano B, Trotta R, Cosconati S, Marinelli L, Novellino E, Bertini I, Randazzo A, Luchinat C, Parrinello M. Limongelli V, et al. Angew Chem Int Ed Engl. 2013 Feb 18;52(8):2269-73. doi: 10.1002/anie.201206522. Epub 2013 Jan 17. Angew Chem Int Ed Engl. 2013. PMID: 23335456 No abstract available.
Funnel metadynamics as accurate binding free-energy method.
Limongelli V, Bonomi M, Parrinello M. Limongelli V, et al. Proc Natl Acad Sci U S A. 2013 Apr 16;110(16):6358-63. doi: 10.1073/pnas.1303186110. Epub 2013 Apr 3. Proc Natl Acad Sci U S A. 2013. PMID: 23553839 Free PMC article.
Mechanistic insight into ligand binding to G-quadruplex DNA.
Di Leva FS, Novellino E, Cavalli A, Parrinello M, Limongelli V. Di Leva FS, et al. Among authors: limongelli v. Nucleic Acids Res. 2014 May;42(9):5447-55. doi: 10.1093/nar/gku247. Epub 2014 Apr 21. Nucleic Acids Res. 2014. PMID: 24753420 Free PMC article.
G-triplex structure and formation propensity.
Cerofolini L, Amato J, Giachetti A, Limongelli V, Novellino E, Parrinello M, Fragai M, Randazzo A, Luchinat C. Cerofolini L, et al. Among authors: limongelli v. Nucleic Acids Res. 2014 Dec 1;42(21):13393-404. doi: 10.1093/nar/gku1084. Epub 2014 Nov 6. Nucleic Acids Res. 2014. PMID: 25378342 Free PMC article.
77 results