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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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Argitaratua izan da:J Comput Chem
Egile Nagusiak: Dutagaci, Bercem, Sayadi, Maryam, Feig, Michael
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: 2017
Gaiak:
Sarrera elektronikoa: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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