Dynamics and structural determinants of ligand recognition of the 5-HT6 receptor

Journal of Computer-Aided Molecular Design

Volumn 29, Issue 12, 2015, Pages 1137-1149

  Vass, Márton ^a,e   Jójárt, Balázs ^b   Bogár, Ferenc ^b   Paragi, Gábor ^b,c   Keseru, György M ^d   Tarcsay, Ákos ^a,f  

^a GEDEON RICHTER LTD   (Hungary)

^b UNIVERSITY OF SZEGED   (Hungary)

^c VU UNIVERSITY AMSTERDAM   (Netherlands)

^d INSTITUTE OF EXPERIMENTAL MEDICINE   (Hungary)

^e AMSTERDAM INSTITUTE FOR MOLECULES   (Netherlands)

^f ChemAxon Kft   (Hungary)

Author keywords

5 HT6 receptor; Docking; Enrichment; Molecular dynamics; Virtual screening

Indexed keywords

BLAST ENRICHMENT; HYDROPHOBICITY; LIGANDS; VIRTUAL REALITY;

5-HT6 RECEPTOR; DOCKING; DYNAMICS SIMULATION; ENRICHMENT; HOMOLOGY MODELING; HYDROPHOBIC CAVITIES; LIGAND RECOGNITION; STRUCTURAL DETERMINANTS; STRUCTURAL REQUIREMENTS; VIRTUAL SCREENING;

MOLECULAR DYNAMICS;

LIGAND; SEROTONIN 6 RECEPTOR; PROTEIN BINDING; SEROTONIN RECEPTOR;

ARTICLE; BINDING SITE; CHEMOMETRIC ANALYSIS; HUMAN; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN INTERACTION; CHEMISTRY; COMPUTER AIDED DESIGN; DRUG DESIGN; METABOLISM; MOLECULAR DOCKING;

BINDING SITES; COMPUTER-AIDED DESIGN; DRUG DESIGN; HUMANS; LIGANDS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; RECEPTORS, SEROTONIN;

EID: 84952315416     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-015-9883-y     Document Type: Article

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