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An Adaptive Fast Multipole Boundary Element Method for Poisson−Boltzmann Electrostatics

The numerical solution of the Poisson−Boltzmann (PB) equation is a useful but a computationally demanding tool for studying electrostatic solvation effects in chemical and biomolecular systems. Recently, we have described a boundary integral equation-based PB solver accelerated by a new version of t...

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Autori principali: Lu, Benzhuo, Cheng, Xiaolin, Huang, Jingfang, McCammon, J. Andrew
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Chemical Society 2009
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC2693949/
https://ncbi.nlm.nih.gov/pubmed/19517026
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct900083k
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