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AN EFFICIENT HIGHER-ORDER FAST MULTIPOLE BOUNDARY ELEMENT SOLUTION FOR POISSON-BOLTZMANN BASED MOLECULAR ELECTROSTATICS

In order to compute polarization energy of biomolecules, we describe a boundary element approach to solving the linearized Poisson-Boltzmann equation. Our approach combines several important features including the derivative boundary formulation of the problem and a smooth approximation of the molec...

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Autori principali: Bajaj, Chandrajit, Chen, Shun-Chuan, Rand, Alexander
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2011
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3110014/
https://ncbi.nlm.nih.gov/pubmed/21660123
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1137/090764645
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