Exploring the electrostatic energy landscape for tetraloop-receptor docking.

Abstract

It has long been appreciated that Mg(2+) is essential for the stabilization of RNA tertiary structure. However, the problem of quantitative prediction for the ion effect in tertiary structure folding remains. By using the virtual bond RNA folding model (Vfold) to generate RNA conformations and the newly improved tightly bound ion model (TBI) to treat ion… (More)
DOI: 10.1039/c3cp53655f

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