Gaussian-Based Smooth Dielectric Function: A Surface-Free Approach for Modeling Macromolecular Binding in Solvents
نویسندگان
چکیده
منابع مشابه
Gaussian-Based Smooth Dielectric Function: A Surface-Free Approach for Modeling Macromolecular Binding in Solvents
Conventional modeling techniques to model macromolecular solvation and its effect on binding in the framework of Poisson-Boltzmann based implicit solvent models make use of a geometrically defined surface to depict the separation of macromolecular interior (low dielectric constant) from the solvent phase (high dielectric constant). Though this simplification saves time and computational resourc...
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ژورنال
عنوان ژورنال: Frontiers in Molecular Biosciences
سال: 2018
ISSN: 2296-889X
DOI: 10.3389/fmolb.2018.00025