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PDB_Hydro: incorporating dipolar solvents with variable density in the Poisson–Boltzmann treatment of macromolecule electrostatics
We describe a new way to calculate the electrostatic properties of macromolecules which eliminates the assumption of a constant dielectric value in the solvent region, resulting in a Generalized Poisson–Boltzmann–Langevin equation (GPBLE). We have implemented a web server () that both numerically so...
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| Auteurs principaux: | , , , , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Oxford University Press
2006
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1538897/ https://ncbi.nlm.nih.gov/pubmed/16845031 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/nar/gkl072 |
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