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Dielectric Boundary Forces in Numerical Poisson-Boltzmann Methods: Theory and Numerical Strategies

Continuum modeling of electrostatic interactions based upon the numerical solutions of the Poisson-Boltzmann equation has been widely adopted in biomolecular applications. To extend their applications to molecular dynamics and energy minimization, robust and efficient methodologies to compute solvat...

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Hlavní autoři: Cai, Qin, Ye, Xiang, Wang, Jun, Luo, Ray
Médium: Artigo
Jazyk:Inglês
Vydáno: 2011
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3224087/
https://ncbi.nlm.nih.gov/pubmed/22125339
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.cplett.2011.08.067
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