A desirability function-based scoring scheme for selecting fragment-like class A aminergic GPCR ligands

Journal of Computer-Aided Molecular Design

Volumn 29, Issue 1, 2015, Pages 59-66

  Kelemen, Ádám A ^a   Ferenczy, György G ^a   Keseru, György M ^a  

^a INSTITUTE OF EXPERIMENTAL MEDICINE   (Hungary)

Author keywords

Aminergic fragment library; Desirability function; Fragment based drug discovery; G protein coupled receptors

Indexed keywords

ATOMS; DIGITAL LIBRARIES;

AMINERGIC FRAGMENT LIBRARY; CLASS A; DESIRABILITY FUNCTION; DRUG DISCOVERY; FRAGMENT-BASED DRUG DISCOVERY; G PROTEIN COUPLED RECEPTORS; PHYSICOCHEMICAL PROPERTY; PROPERTY; PROPERTY-BASED; SCORING SCHEMES;

LIBRARIES;

G PROTEIN COUPLED RECEPTOR; NITROGEN; OXYGEN; LIGAND; MOLECULAR LIBRARY; PEPTIDE FRAGMENT;

ARTICLE; PH; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN FUNCTION; SCORING SYSTEM; SCREENING; VALIDATION STUDY; CHEMISTRY; DRUG DEVELOPMENT; FACTUAL DATABASE; METABOLISM; MOLECULAR LIBRARY; REPRODUCIBILITY; STRUCTURE ACTIVITY RELATION;

DATABASES, FACTUAL; DRUG DISCOVERY; LIGANDS; NITROGEN; OXYGEN; PEPTIDE FRAGMENTS; RECEPTORS, G-PROTEIN-COUPLED; REPRODUCIBILITY OF RESULTS; SMALL MOLECULE LIBRARIES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84922092811     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-014-9804-5     Document Type: Article

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