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AFMPB: An Adaptive Fast Multipole Poisson-Boltzmann Solver for Calculating Electrostatics in Biomolecular Systems

A Fortran program package is introduced for rapid evaluation of the electrostatic potentials and forces in biomolecular systems modeled by the linearized Poisson-Boltzmann equation. The numerical solver utilizes a well-conditioned boundary integral equation (BIE) formulation, a node-patch discretiza...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Hauptverfasser: Lu, Benzhuo, Cheng, Xiaolin, Huang, Jingfang, McCammon, J. Andrew
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2010
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2880819/
https://ncbi.nlm.nih.gov/pubmed/20532187
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.cpc.2010.02.015
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