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Problems of Robustness in Poisson–Boltzmann Binding Free Energies

[Image: see text] Although models based on the Poisson–Boltzmann (PB) equation have been fairly successful at predicting some experimental quantities, such as solvation free energies (ΔG), these models have not been consistently successful at predicting binding free energies (ΔΔG). Here we found tha...

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Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:J Chem Theory Comput
Prif Awduron: Harris, Robert C., Mackoy, Travis, Fenley, Marcia O.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: American Chemical Society 2015
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC4610304/
https://ncbi.nlm.nih.gov/pubmed/26528091
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct5005017
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