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Accurate, robust and reliable calculations of Poisson-Boltzmann binding energies
Poisson-Boltzmann (PB) model is one of the most popular implicit solvent models in biophysical modeling and computation. The ability of providing accurate and reliable PB estimation of electrostatic solvation free energy, ΔG(el), and binding free energy, ΔΔG(el), is important to computational biophy...
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| Publicado no: | J Comput Chem |
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| Principais autores: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5844473/ https://ncbi.nlm.nih.gov/pubmed/28211071 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.24757 |
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