Fast Analytical Methods for Macroscopic Electrostatic Models in Biomolecular Simulations release_yjo6c24hqnar3jchhwqx2gor5m

by Zhenli Xu, Wei Cai

Published in SIAM Review by Society for Industrial & Applied Mathematics (SIAM).

2011   Volume 53, Issue 4, p683-720


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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Type  article-journal
Stage   published
Date   2011-11-07
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DOI  10.1137/090774288
PubMed  23745011
PMC  PMC3671632
Wikidata  Q38112677
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ISSN-L:  0036-1445
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