New insights into the GABA A receptor structure and orthosteric ligand binding: Receptor modeling guided by experimental data

Proteins: Structure, Function and Bioinformatics

Volumn 79, Issue 5, 2011, Pages 1458-1477

  Sander, Tommy ^a   Frølund, Bente ^a   Bruun, Anne Techau ^b   Ivanov, Ivaylo ^c   Mccammon, James Andrew ^d,e   Balle, Thomas ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b H LUNDBECK A S   (Denmark)

^c GEORGIA STATE UNIVERSITY   (United States)

^d UNIVERSITY OF CALIFORNIA   (United States)

^e San Diego   (United States)

Author keywords

4 (4 piperidyl) 1 hydroxypyrazole; 4 PHP; 4 PIOL; 5 (4 piperidyl) 3 isoxazolol; GRID analysis; Homology modeling; Ligand docking; Molecular dynamics; Spatial restraints

Indexed keywords

3 AMINO 2 (3 CARBOXYPROPYL) 6 (4 METHOXYPHENYL)PYRIDAZINIUM BROMIDE; 3 HYDROXY 5 (4 PIPERIDYL)ISOXAZOLE; 4 (4 PIPERIDYL) 1 HYDROXYPYRAZOLE; 4 AMINOBUTYRIC ACID A RECEPTOR ALPHA1; 4 AMINOBUTYRIC ACID A RECEPTOR BETA2; 4 AMINOBUTYRIC ACID A RECEPTOR GAMMA2; BICUCULLINE; PYRAZOLE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CRYSTAL STRUCTURE; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PHARMACOPHORE; PRIORITY JOURNAL; PROTEIN FUNCTION; PROTEIN STABILITY; PROTEIN STRUCTURE; SEQUENCE HOMOLOGY;

AMINO ACID SEQUENCE; ANIMALS; BINDING SITES; GABA-A RECEPTOR ANTAGONISTS; HUMANS; LIGANDS; MICE; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PROTEIN BINDING; RECEPTORS, GABA-A; SEQUENCE ALIGNMENT; TORPEDO;

EID: 79954594400     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.22975     Document Type: Article

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