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“New-version-fast-multipole-method” accelerated electrostatic interactions in biomolecular systems

In this paper, we present an efficient and accurate numerical algorithm for calculating the electrostatic interactions in biomolecular systems. In our scheme, a boundary integral equation (BIE) approach is applied to discretize the linearized Poisson-Boltzmann (PB) equation. The resulting integral f...

詳細記述

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書誌詳細
主要な著者: Lu, Benzhuo, Cheng, Xiaolin, McCammon, J. Andrew
フォーマット: Artigo
言語:Inglês
出版事項: 2007
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC2084081/
https://ncbi.nlm.nih.gov/pubmed/18379638
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jcp.2007.05.026
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