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Reducing grid-dependence in finite-difference Poisson-Boltzmann calculations

Grid dependence in numerical reaction field energies and solvation forces is a well-known limitation in the finite-difference Poisson-Boltzmann methods. In this study we have investigated several numerical strategies to overcome the limitation. Specifically, we have included trimer arc dots during a...

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Autori principali: Wang, Jun, Cai, Qin, Xiang, Ye, Luo, Ray
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2012
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3505068/
https://ncbi.nlm.nih.gov/pubmed/23185142
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct300341d
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