Induced fit - The key for understanding LSD activity? A 4D-QSAR study on the 5-HT2A receptor system

Quantitative Structure-Activity Relationships

Volumn 19, Issue 6, 2001, Pages 565-573

  Streich, Daniel ^a,b   Neuburger Zehnder, Margareta ^a,b   Vedani, Angelo ^a,b  

^a UNIVERSITY OF BASEL   (Switzerland)

^b Biographics Laboratory 3R   (Switzerland)

Author keywords

4D QSAR; 5 HT2A receptor; Genetic algorithms; Induced fit simulation; Multiple ligand representation; Quasi atomistic receptor models

Indexed keywords

BINDING ENERGY; BIOINFORMATICS; COMPUTATIONAL CHEMISTRY; COMPUTER SOFTWARE; FREE ENERGY; LIGANDS; MOLECULES; MONTE CARLO METHODS;

4D-QSAR; 5-HT2A RECEPTOR; ATOMISTICS; INDUCED FIT; INDUCED-FIT SIMULATION; MULTIPLE LIGAND REPRESENTATION; MULTIPLE LIGANDS; QSAR STUDIES; QUASI-ATOMISTIC RECEPTOR MODEL; RECEPTOR MODELING;

GENETIC ALGORITHMS;

LYSERGIDE; SEROTONIN 2A RECEPTOR;

ARTICLE; COMPUTER PROGRAM; COMPUTER SIMULATION; CONFORMATION; ENERGY TRANSFER; LIGAND BINDING; PRIORITY JOURNAL; PROTON TRANSPORT; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SEROTONINERGIC SYSTEM;

EID: 0035069324     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3838(200012)19:6<565::AID-QSAR565>3.0.CO;2-2     Document Type: Article

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