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A biomolecular electrostatics solver using Python, GPUs and boundary elements that can handle solvent-filled cavities and Stern layers

The continuum theory applied to biomolecular electrostatics leads to an implicit-solvent model governed by the Poisson-Boltzmann equation. Solvers relying on a boundary integral representation typically do not consider features like solvent-filled cavities or ion-exclusion (Stern) layers, due to the...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: Cooper, Christopher D., Bardhan, Jaydeep P., Barba, L. A.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: 2014
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC4179212/
https://ncbi.nlm.nih.gov/pubmed/25284826
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.cpc.2013.10.028
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