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Improved Poisson-Boltzmann Methods for High-Performance Computing

Implicit solvent models based on the Poisson-Boltzmann equation (PBE) have been widely used to study electrostatic interactions in biophysical processes. These models often treat the solvent and solute regions as high and low dielectric continua, leading to a large jump in dielectrics across the mol...

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Pubblicato in:J Chem Theory Comput
Autori principali: Wei, Haixin, Luo, Aaron, Qiu, Tianyin, Luo, Ray, Qi, Ruxi
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2019
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC7194241/
https://ncbi.nlm.nih.gov/pubmed/31525962
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.9b00602
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