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Reducing grid-dependence in finite-difference Poisson-Boltzmann calculations
Grid dependence in numerical reaction field energies and solvation forces is a well-known limitation in the finite-difference Poisson-Boltzmann methods. In this study we have investigated several numerical strategies to overcome the limitation. Specifically, we have included trimer arc dots during a...
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Main Authors: | , , , |
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Formato: | Artigo |
Idioma: | Inglês |
Publicado em: |
2012
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Assuntos: | |
Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3505068/ https://ncbi.nlm.nih.gov/pubmed/23185142 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct300341d |
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