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An analytical approach to computing biomolecular electrostatic potential. I. Derivation and analysis

Analytical approximations to fundamental equations of continuum electrostatics on simple shapes can lead to computationally inexpensive prescriptions for calculating electrostatic properties of realistic molecules. Here, we derive a closed-form analytical approximation to the Poisson equation for an...

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Autori principali: Fenley, Andrew T., Gordon, John C., Onufriev, Alexey
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Institute of Physics 2008
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC2671191/
https://ncbi.nlm.nih.gov/pubmed/19044802
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.2956497
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