Computation of molecular electrostatics with boundary element methods
نویسندگان
چکیده
منابع مشابه
Computation of molecular electrostatics with boundary element methods.
In continuum approaches to molecular electrostatics, the boundary element method (BEM) can provide accurate solutions to the Poisson-Boltzmann equation. However, the numerical aspects of this method pose significant problems. We describe our approach, applying an alpha shape-based method to generate a high-quality mesh, which represents the shape and topology of the molecule precisely. We also ...
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ژورنال
عنوان ژورنال: Biophysical Journal
سال: 1997
ISSN: 0006-3495
DOI: 10.1016/s0006-3495(97)78213-4