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Page 1
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. 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.
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.
The fuzzy quantum proton in the hydrogen chloride hydrates.
Hassanali AA, Cuny J, Ceriotti M, Pickard CJ, Parrinello M. Hassanali AA, et al. J Am Chem Soc. 2012 May 23;134(20):8557-69. doi: 10.1021/ja3014727. Epub 2012 May 14. J Am Chem Soc. 2012. PMID: 22500856
On the recombination of hydronium and hydroxide ions in water.
Hassanali A, Prakash MK, Eshet H, Parrinello M. Hassanali A, et al. Proc Natl Acad Sci U S A. 2011 Dec 20;108(51):20410-5. doi: 10.1073/pnas.1112486108. Epub 2011 Dec 5. Proc Natl Acad Sci U S A. 2011. PMID: 22143756 Free PMC article.
Proton transfer through the water gossamer.
Hassanali A, Giberti F, Cuny J, Kühne TD, Parrinello M. Hassanali A, et al. Proc Natl Acad Sci U S A. 2013 Aug 20;110(34):13723-8. doi: 10.1073/pnas.1306642110. Epub 2013 Jul 18. Proc Natl Acad Sci U S A. 2013. PMID: 23868853 Free PMC article.
Anomalous water diffusion in salt solutions.
Ding Y, Hassanali AA, Parrinello M. Ding Y, et al. Proc Natl Acad Sci U S A. 2014 Mar 4;111(9):3310-5. doi: 10.1073/pnas.1400675111. Epub 2014 Feb 12. Proc Natl Acad Sci U S A. 2014. PMID: 24522111 Free PMC article.
23 results