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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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| Main Authors: | , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2008
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| Fag: | |
| Online adgang: | 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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