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...

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Detalles Bibliográficos
Autores principales: Chakravorty, Arghya, Jia, Zhe, Peng, Yunhui, Tajielyato, Nayere, Wang, Lisi, Alexov, Emil
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2018
Materias:
Molecular Biosciences
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5881404/
https://www.ncbi.nlm.nih.gov/pubmed/29637074
http://dx.doi.org/10.3389/fmolb.2018.00025

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5881404/
https://www.ncbi.nlm.nih.gov/pubmed/29637074
http://dx.doi.org/10.3389/fmolb.2018.00025

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