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Fast Analytical Methods for Macroscopic Electrostatic Models in Biomolecular Simulations
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by
Zhenli Xu, Wei Cai
Published
in SIAM Review by Society for Industrial & Applied Mathematics (SIAM).
2011 Volume 53, Issue 4, p683-720
Abstract
We review recent developments of fast analytical methods for macroscopic electrostatic calculations in biological applications, including the Poisson-Boltzmann (PB) and the generalized Born models for electrostatic solvation energy. The focus is on analytical approaches for hybrid solvation models, especially the image charge method for a spherical cavity, and also the generalized Born theory as an approximation to the PB model. This review places much emphasis on the mathematical details behind these methods.
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Crossref Metadata (via API)
Worldcat
SHERPA/RoMEO (journal policies)
wikidata.org
CORE.ac.uk
Semantic Scholar
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