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Adapting Poisson-Boltzmann to the self-consistent mean field theory: Application to protein side-chain modeling
We present an extension of the self-consistent mean field theory for protein side-chain modeling in which solvation effects are included based on the Poisson-Boltzmann (PB) theory. In this approach, the protein is represented with multiple copies of its side chains. Each copy is assigned a weight th...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3162615/ https://ncbi.nlm.nih.gov/pubmed/21823735 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3621831 |
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