Analysis of fast boundary-integral approximations for modeling electrostatic contributions of molecular binding

We analyze and suggest improvements to a recently developed approximate continuum-electrostatic model for proteins. The model, called BIBEE/I (boundary-integral based electrostatics estimation with interpolation), was able to estimate electrostatic solvation free energies to within a mean unsigned e...

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Detaylı Bibliyografya
Asıl Yazarlar: Kreienkamp, Amelia B., Liu, Lucy Y., Minkara, Mona S., Knepley, Matthew G., Bardhan, Jaydeep P., Radhakrishnan, Mala L.
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: 2013
Konular:
Article
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC3897805/
https://ncbi.nlm.nih.gov/pubmed/24466561
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.2478/mlbmb-2013-0007
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