Mixed-model QSAR at the glucocorticoid receptor: Predicting the binding mode and affinity of psychotropic drugs

ChemMedChem

Volumn 4, Issue 1, 2009, Pages 100-109

  Spreafico, Morena ^a   Ernst, Beat ^a   Lill, Markus A ^b   Smiesko, Martin ^a   Vedani, Angelo ^a  

^a UNIVERSITY OF BASEL   (Switzerland)

^b PURDUE UNIVERSITY   (United States)

Author keywords

Consensus scoring; Flexible docking glucocorticoid receptor; Induced fit simulation; Multidimensional qsar

Indexed keywords

ALPRAZOLAM; AMFEBUTAMONE; AMITRIPTYLINE; BUSPIRONE; CLOMIPRAMINE; DESIPRAMINE; DIHYDROPYRIDINE DERIVATIVE; ESCITALOPRAM; FLUOXETINE; GLUCOCORTICOID RECEPTOR; IMIPRAMINE; LORAZEPAM; METHYLPHENIDATE; MOCLOBEMIDE; PSYCHOTROPIC AGENT; QUINOLINE DERIVATIVE; REBOXETINE; SERTRALINE; STEROID; TRAZODONE; TRIMIPRAMINE; VENLAFAXINE;

ARTICLE; BINDING AFFINITY; COMPUTER MODEL; DRUG BINDING; DRUG STRUCTURE; PRIORITY JOURNAL; PROTEIN STRUCTURE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VALIDATION PROCESS;

BINDING SITES; COMPUTER SIMULATION; DRUG DESIGN; PROTEIN STRUCTURE, TERTIARY; PSYCHOTROPIC DRUGS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, GLUCOCORTICOID; SOFTWARE; THERMODYNAMICS;

EID: 58549084397     PISSN: 18607179     EISSN: 18607187     Source Type: Journal    
DOI: 10.1002/cmdc.200800274     Document Type: Article

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