GPU linear and non-linear Poisson–Boltzmann solver module for DelPhi
نویسندگان
چکیده
منابع مشابه
GPU linear and non-linear Poisson-Boltzmann solver module for DelPhi
SUMMARY In this work, we present a CUDA-based GPU implementation of a Poisson-Boltzmann equation solver, in both the linear and non-linear versions, using double precision. A finite difference scheme is adopted and made suitable for the GPU architecture. The resulting code was interfaced with the electrostatics software for biomolecules DelPhi, which is widely used in the computational biology ...
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ژورنال
عنوان ژورنال: Bioinformatics
سال: 2013
ISSN: 1460-2059,1367-4803
DOI: 10.1093/bioinformatics/btt699