Molecular dynamics simulations of the human CAR ligand-binding domain: Deciphering the molecular basis for constitutive activity

Journal of Molecular Modeling

Volumn 11, Issue 1, 2005, Pages 69-79

  Windshügel, Björn ^a   Jyrkkärinne, Johanna ^b   Poso, Antti ^b   Honkakoski, Paavo ^b   Sippl, Wolfgang ^a  

^a MARTIN LUTHER UNIVERSITY HALLE WITTENBERG   (Germany)

^b UNIVERSITY OF EASTERN FINLAND   (Finland)

Author keywords

Activation mechanism; CAR; Docking; GOLD; GROMACS; Molecular dynamics; Nuclear receptor

Indexed keywords

AMINO ACID; CLOTRIMAZOLE; CONSTITUTIVE ANDROSTANE RECEPTOR; LIGAND; PREGNANE X RECEPTOR; STEROID RECEPTOR COACTIVATOR 1; VITAMIN D RECEPTOR;

ARTICLE; BINDING AFFINITY; CARBOXY TERMINAL SEQUENCE; COMPLEX FORMATION; COMPUTER PROGRAM; COMPUTER SIMULATION; CRYSTAL STRUCTURE; DRUG RECEPTOR BINDING; DRUG STRUCTURE; HUMAN; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; PRIORITY JOURNAL; RECEPTOR BINDING; SEQUENCE HOMOLOGY; SITE DIRECTED MUTAGENESIS;

AMINO ACID SEQUENCE; BINDING SITES; CLOTRIMAZOLE; COMPUTATIONAL BIOLOGY; GENE EXPRESSION REGULATION; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; MUTATION; PROTEIN STRUCTURE, TERTIARY; RECEPTORS, CALCITRIOL; RECEPTORS, CYTOPLASMIC AND NUCLEAR; RECEPTORS, STEROID; SEQUENCE ALIGNMENT; STRUCTURAL HOMOLOGY, PROTEIN; TRANSCRIPTION FACTORS;

EID: 14844315665     PISSN: 16102940     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00894-004-0227-4     Document Type: Article

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