2 papers
chem-ph1995
Boundary Integral Methods for the Poisson Equation of Continuum Dielectric Solvation Models
L. R. Pratt, G. J. Tawa, G. Hummer +2
This paper tests a dielectric model for variation of hydration free energy with geometry of complex solutes in water. It works out some basic aspects of the theory of boundary inte…
chem-ph1995
Mixed Direct-Iterative Methods for Boundary Integral Formulations of Dielectric Solvation Models
S. A. Corcelli, J. D. Kress, L. R. Pratt +1
This paper describes a mixed direct-iterative method for boundary integral formulations of dielectric solvation models. We give an example for which a direct solution at thermal ac…