Molecular modeling of hair keratin/peptide complex: Using MM-PBSA calculations to describe experimental binding results

Proteins: Structure, Function and Bioinformatics

Volumn 80, Issue 5, 2012, Pages 1409-1417

  Azoia, Nuno G ^a   Fernandes, Margarida M ^a   Micaêlo, Nuno M ^a   Soares, Cláudio M ^b   Cavaco Paulo, Artur ^a  

^a UNIVERSITY OF MINHO   (Portugal)

^b INSTITUTO DE TECNOLOGIA QUÍMICA E BIOLÓGICA   (Portugal)

Author keywords

Dielectric constant; Free energy; Free energy of solvation; Hair fiber; Keratin dimer

Indexed keywords

DIMER; KERATIN; VIMENTIN;

ARTICLE; CALCULATION; CRYSTAL STRUCTURE; DIELECTRIC CONSTANT; EXPERIMENTAL STUDY; HAIR; MOLECULAR MODEL; POISSON DISTRIBUTION; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN INTERACTION; PROTEIN STRUCTURE; SEQUENCE HOMOLOGY; STATIC ELECTRICITY; X RAY ANALYSIS;

AMINO ACID SEQUENCE; HUMANS; KERATINS, HAIR-SPECIFIC; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PEPTIDE FRAGMENTS; PULMONARY SURFACTANT-ASSOCIATED PROTEIN D; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 84859442401     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.24037     Document Type: Article

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