Some Challenges of Diffused Interfaces in Implicit‐Solvent Models
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DOI: 10.1002/jcc.70036
Abstract: The standard Poisson‐Boltzmann (PB) model for molecular electrostatics assumes a sharp variation of the permittivity and salt concentration along the solute‐solvent interface. The discontinuous field parameters are not only difficult numerically, but also are not… read more here.
Keywords: solvent models; diffused interfaces; challenges diffused; interfaces implicit ... See more keywords