Alternative quality assessment strategy to compare performances of GPCR-ligand docking protocols: The human adenosine A2A receptor as a case study

Journal of Chemical Information and Modeling

Volumn 54, Issue 8, 2014, Pages 2243-2254

  Ciancetta, Antonella ^a   Cuzzolin, Alberto ^a   Moro, Stefano ^a  

^a UNIVERSITY OF PADOVA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; LIGANDS;

DOCKING ALGORITHMS; EVALUATION STRATEGIES; G PROTEIN COUPLED RECEPTORS; INTERACTION ENERGIES; LIGAND-RECEPTOR INTERACTIONS; QUALITY ASSESSMENT; SELECTIVE LIGANDS; STRUCTURAL DETERMINATION;

QUALITY CONTROL;

ADENOSINE; ADENOSINE A2A RECEPTOR; ADENOSINE RECEPTOR BLOCKING AGENT; ADENOSINE RECEPTOR STIMULATING AGENT; LIGAND; PROTEIN BINDING;

BINDING SITE; CHEMISTRY; HUMAN; MOLECULAR DOCKING; PROCEDURES; PROTEIN CONFORMATION; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

ADENOSINE; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; HUMANS; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; PURINERGIC P1 RECEPTOR AGONISTS; PURINERGIC P1 RECEPTOR ANTAGONISTS; RECEPTOR, ADENOSINE A2A; THERMODYNAMICS;

EID: 84904979697     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci5002857     Document Type: Article

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