Article ID Journal Published Year Pages File Type
9591062 Journal of Molecular Structure: THEOCHEM 2005 8 Pages PDF
Abstract
We have investigated the variation of the electrostatic solvation free energy, as well as the computational cost involved, as a function of the variation of key parameters for the numerical differentiation of the Poisson-Boltzmann equation as implemented in DelPhi.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Accuracy of the numerical solution of the Poisson-Boltzmann equation
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