Some insights into the binding mechanism of the GABAA receptor: A combined docking and MM-GBSA study

Journal of Molecular Modeling

Volumn 19, Issue 12, 2013, Pages 5489-5500

  Xie, Hong Bo ^a,b   Sha, Yu ^a   Wang, Jian ^a   Cheng, Mao Sheng ^a  

^a SHENYANG PHARMACEUTICAL UNIVERSITY   (China)

^b HARBIN MEDICAL UNIVERSITY   (China)

Author keywords

Gamma aminobutyric acid type A receptors; Homology modeling; Molecular docking; Molecular dynamics simulation; Molecular mechanic generalized Born surface area

Indexed keywords

4 AMINOBUTYRIC ACID A RECEPTOR; 4 AMINOBUTYRIC ACID A RECEPTOR ALPHA1; 4 AMINOBUTYRIC ACID A RECEPTOR BETA2; 4 AMINOBUTYRIC ACID A RECEPTOR GAMMA2; ESZOPICLONE; FLURAZEPAM; ZOLPIDEM;

AMINO ACID SEQUENCE; ARTICLE; BINDING AFFINITY; CALCULATION; DRUG BINDING SITE; DRUG RECEPTOR BINDING; ENERGY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; MUTAGENESIS; PRIORITY JOURNAL;

AMINO ACID SEQUENCE; AZABICYCLO COMPOUNDS; BINDING SITES; FLURAZEPAM; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; PIPERAZINES; PROTEIN BINDING; PYRIDINES; RECEPTORS, GABA-A;

EID: 84890859694     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-013-2049-8     Document Type: Article

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