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Influence of Grid Spacing in Poisson-Boltzmann Equation Binding Energy Estimation
Grid-based solvers of the Poisson-Boltzmann, PB, equation are routinely used to estimate electrostatic binding, ΔΔG(el), and solvation, ΔG(el), free energies. The accuracies of such estimates are subject to grid discretization errors from the finite difference approximation to the PB equation. Here,...
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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/PMC3756143/ https://ncbi.nlm.nih.gov/pubmed/23997692 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct300765w |
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