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Channeling through Two Stacked Guanine Quartets of One and Two Alkali Cations in the Li+, Na+, K+, and Rb+ Series. Assessment of the Accuracy of the SIBFA Anisotropic Polarizable Molecular Mechanics Potential.
Gresh N, Naseem-Khan S, Lagardère L, Piquemal JP, Sponer JE, Sponer J. Gresh N, et al. Among authors: sponer j, sponer je. J Phys Chem B. 2017 Apr 27;121(16):3997-4014. doi: 10.1021/acs.jpcb.7b01836. Epub 2017 Apr 13. J Phys Chem B. 2017. PMID: 28363025
Intercalators. 1. Nature of stacking interactions between intercalators (ethidium, daunomycin, ellipticine, and 4',6-diaminide-2-phenylindole) and DNA base pairs. Ab initio quantum chemical, density functional theory, and empirical potential study.
Reha D, Kabelác M, Ryjácek F, Sponer J, Sponer JE, Elstner M, Suhai S, Hobza P. Reha D, et al. Among authors: sponer j, sponer je. J Am Chem Soc. 2002 Apr 3;124(13):3366-76. doi: 10.1021/ja011490d. J Am Chem Soc. 2002. PMID: 11916422
Metal-mediated deamination of cytosine: experiment and DFT calculations.
Sponer JE, Sanz Miguel PJ, Rodríguez-Santiago L, Erxleben A, Krumm M, Sodupe M, Sponer J, Lippert B. Sponer JE, et al. Among authors: sponer j. Angew Chem Int Ed Engl. 2004 Oct 11;43(40):5396-9. doi: 10.1002/anie.200460107. Angew Chem Int Ed Engl. 2004. PMID: 15468078 No abstract available.
362 results