Our new paper on fast Poisson approximations for protein electrostatics is out!

Matt Knepley and I continue to improve the BIBEE model (boundary-integral based electrostatics estimation) using mathematical analysis of the underlying integral operator.  The newest version, published here, achieves 4% accuracy with a single fit parameter.  The authoritative version of the paper is at The Journal of Chemical Physics, but a non-typeset version is available at ArXiv.org.

We would especially like to thank my department chair, Prof. Bob Eisenberg, for his continuing support and encouragement in our quest for better implicit-solvent models.  Also, we would like to acknowledge the referee for his or her very insightful and tough comments; these led to a substantially improved paper.



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