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Showing 1 to 3 of 3 for “"Poisson Boltzmann Model"”.
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Consistent approach for calculating protein pKa's using Poisson-Boltzmann Model
… the accuracy of pKa prediction using the Poisson-Boltzmann electrostatic model remains an active area of research. The major challenge is to determine the appropriate dielectric constant that best describes the heterogeneous protein environment. The common use of a single large dielectric …
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Molecular simulation of biomaterials and biomolecules at the solid-liquid interface
… of adsorption mechanisms. While simple models involving reduced solvent representations and polymer flexibility have found some success in limited applications, robust performance for systems of varying size and composition can generally be expected only through accurate inclusion of …
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Adsorption in Confined Aqueous Films
… The results were compared to solution of the Poisson-Boltzmann model and good agreement was found between the model and the experiment. The effect of background salt concentration on fluorescein adsorption was also studied in concentrated electrolytes (2.5 – 10 M) for various monovalent salts …