Effect of Monovalent Ion Parameters on Molecular Dynamics Simulations of G-Quadruplexes.
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DOI: 10.1021/acs.jctc.7b00257
Abstract: G-quadruplexes (GQs) are key noncanonical DNA and RNA architectures stabilized by desolvated monovalent cations present in their central channels. We analyze extended atomistic molecular dynamics simulations (∼580 μs in total) of GQs with 11 monovalent… read more here.
Keywords: molecular dynamics; water; ion parameters; ion ... See more keywords