Gaussian-Based Smooth Dielectric Function: A Surface-Free Approach for Modeling Macromolecular Binding in Solvents

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Chakravorty, Arghya; Jia, Zhe; Peng, Yunhui; Tajielyato, Nayere; Wang, Lisi; Alexov, Emil;

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 dielectr... View more
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