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Heterogeneous Dielectric Generalized Born model with a van der Waals Term (HDGBvdW) Provides Improved Association Energetics of Membrane-Embedded Transmembrane Helices
The Heterogeneous Dielectric Generalized Born (HDGB) implicit membrane formalism is extended by the addition of a van der Waals dispersion term to better describe the nonpolar components of the free energy of solvation. The new model, termed HDGBvdW, improves the energy estimates in the hydrophobic...
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| Pubblicato in: | J Comput Chem |
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| Autori principali: | , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
2017
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5407934/ https://ncbi.nlm.nih.gov/pubmed/28160300 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.24691 |
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