Heterogeneous dielectric generalized Born model with a van der Waals term provides improved association energetics of membrane-embedded transmembrane helices.

Dutagaci, Bercem; Sayadi, Maryam; Feig, Michael

Dutagaci, Bercem; Sayadi, Maryam; Feig, Michael.

Affiliation

Dutagaci B; Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, Michigan, 48824.
Sayadi M; Department of Chemistry, Michigan State University, East Lansing, Michigan, 48824.
Feig M; Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, Michigan, 48824.

J Comput Chem ; 38(16): 1308-1320, 2017 06 15.

Article in En | MEDLINE | ID: mdl-28160300

Subject(s)

Cell Membrane/metabolism; Membrane Proteins/metabolism; Models, Molecular; Cellular Microenvironment; Hydrophobic and Hydrophilic Interactions; Protein Structure, Secondary; Solvents/chemistry; Structure-Activity Relationship; Thermodynamics

Key words

generalized Born formalism; implicit membrane model; transmembrane helix dimers

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Models, Molecular / Cell Membrane / Membrane Proteins Type of study: Risk_factors_studies Language: En Journal: J Comput Chem Journal subject: QUIMICA Year: 2017 Document type: Article Country of publication: United States

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