Wavelet BEM on molecular surfaces: parametrization and implementation

The present paper is dedicated to the rapid solution of boundary integral equations arising from solvation continuum models. We apply a fully discrete wavelet Galerkin scheme for the computation of the apparent surface charge on van der Waals or solvent accessible surfaces. The molecular surface is described in parametric form as a set of four-sided spherical patches. Each patch is exactly represented as rational Bézier surface. Numerical results are reported to illustrate the approach.

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