A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson–Boltzmann electrostatics

Dielectric boundary based implicit-solvent models provide efficient descriptions of coarse-grained effects, particularly the electrostatic effect, of aqueous solvent. Recent years have seen the initial success of a new such model, variational implicit-solvent model (VISM) [Dzubiella, Swanson, and Mc...

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Vydáno v:J Chem Phys
Hlavní autoři: Sun, Hui, Wen, Jiayi, Zhao, Yanxiang, Li, Bo, McCammon, J. Andrew
Médium: Artigo
Jazyk:Inglês
Vydáno: AIP Publishing LLC 2015
Témata:
Special Topic: Coarse Graining of Macromolecules, Biopolymers, and Membranes
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC4605633/
https://ncbi.nlm.nih.gov/pubmed/26723595
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4932336
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