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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Detalles Bibliográficos
Autores principales: Azuara, Cyril, Lindahl, Erik, Koehl, Patrice, Orland, Henri, Delarue, Marc
Formato: Texto
Lenguaje:English
Publicado: Oxford University Press 2006
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1538897/
https://www.ncbi.nlm.nih.gov/pubmed/16845031
http://dx.doi.org/10.1093/nar/gkl072

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1538897/
https://www.ncbi.nlm.nih.gov/pubmed/16845031
http://dx.doi.org/10.1093/nar/gkl072

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