Molecular surface-free continuum model for electrodiffusion processes
نویسندگان
چکیده
منابع مشابه
Molecular surface-free continuum model for electrodiffusion processes.
Incorporation of van der Waals interactions enables the continuum model of electrodiffusion in biomolecular system to avoid the artifacts of introducing a molecular surface and the painful task of the surface mesh generation. Calculation examples show that the electrostatics, diffusion-reaction kinetics, and molecular surface defined as an isosurface of a certain density distribution can be ext...
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ژورنال
عنوان ژورنال: Chemical Physics Letters
سال: 2008
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2007.11.101