Poisson-Boltzmann Calculations: van der Waals or Molecular Surface?
نویسندگان
چکیده
منابع مشابه
Poisson-Boltzmann Calculations: van der Waals or Molecular Surface?
The Poisson-Boltzmann equation is widely used for modeling the electrostatics of biomolecules, but the calculation results are sensitive to the choice of the boundary between the low solute dielectric and the high solvent dielectric. The default choice for the dielectric boundary has been the molecular surface, but the use of the van der Waals surface has also been advocated. Here we review rec...
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ژورنال
عنوان ژورنال: Communications in Computational Physics
سال: 2013
ISSN: 1815-2406,1991-7120
DOI: 10.4208/cicp.270711.140911s