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A strategy for reducing gross errors in the generalized Born models of implicit solvation

The “canonical” generalized Born (GB) formula [C. Still, A. Tempczyk, R. C. Hawley, and T. Hendrickson, J. Am. Chem. Soc. 112, 6127 (1990)] is known to provide accurate estimates for total electrostatic solvation energies ΔG(el) of biomolecules if the corresponding effective Born radii are accurate....

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Hlavní autoři: Onufriev, Alexey V., Sigalov, Grigori
Médium: Artigo
Jazyk:Inglês
Vydáno: American Institute of Physics 2011
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3100913/
https://ncbi.nlm.nih.gov/pubmed/21528947
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3578686
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