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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: | , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
American Institute of Physics
2011
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| 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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