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Accurate Calculations of Binding, Folding, and Transfer Free Energies by a Scaled Generalized Born Method

The Poisson-Boltzmann (PB) equation is widely used for modeling solvation effects. The computational cost of PB has restricted its applications largely to single-conformation calculations. The generalized Born (GB) model provides an approximation at substantially reduced cost. Currently the best GB...

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Autors principals: Tjong, Harianto, Zhou, Huan-Xiang
Format: Artigo
Idioma:Inglês
Publicat: 2008
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3587178/
https://ncbi.nlm.nih.gov/pubmed/23468599
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct8001656
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