The Poisson-Boltzmann model for tRNA: Assessment of the calculation set-up and ionic concentration cutoff

Abstract

Using tRNA molecule as an example, we evaluate the applicability of the Poisson-Boltzmann model to highly charged systems such as nucleic acids. Particularly, we describe the effect of explicit crystallographic divalent ions and water molecules, ionic strength of the solvent, and the linear approximation to the Poisson-Boltzmann equation on the… (More)
DOI: 10.1002/jcc.20953

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