Substrate binding and translocation of the serotonin transporter studied by docking and molecular dynamics simulations

Journal of Molecular Modeling

Volumn 18, Issue 3, 2012, Pages 1073-1085

  Gabrielsen, Mari ^a   Westrheim Ravna, Aina ^a   Kristiansen, Kurt ^a   Sylte, Ingebrigt ^a  

^a Medical Pharmacology and Toxicology   (Norway)

Author keywords

(S) citalopram binding; Homology modeling; Molecular dynamics; SERT; Substrate binding; Substrate transport

Indexed keywords

CARRIER PROTEINS AND BINDING PROTEINS; CITALOPRAM; LEUCINE TRANSPORTER; SEROTONIN TRANSPORTER; TRYPTAMINE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; CONFORMATION; CYTOPLASM; DRUG BINDING; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN STRUCTURE; THREE DIMENSIONAL IMAGING;

COMPUTER SIMULATION; HUMANS; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; SEROTONIN; SEROTONIN PLASMA MEMBRANE TRANSPORT PROTEINS; SEROTONIN UPTAKE INHIBITORS; SUBSTRATE SPECIFICITY;

PROKARYOTA;

EID: 84861337783     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1133-1     Document Type: Article

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