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Enriched gradient recovery for interface solutions of the Poisson-Boltzmann equation
Accurate calculation of electrostatic potential and gradient on the molecular surface is highly desirable for the continuum and hybrid modeling of large scale deformation of biomolecules in solvent. In this article a new numerical method is proposed to calculate these quantities on the dielectric in...
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| Published in: | J Comput Phys |
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| Main Authors: | , |
| Format: | Artigo |
| Language: | Inglês |
| Published: |
2020
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| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7461612/ https://ncbi.nlm.nih.gov/pubmed/32884156 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jcp.2020.109725 |
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