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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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| Main Authors: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2013
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| Assuntos: | |
| Acesso em linha: | 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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