Exploring molecular mechanisms of ligand recognition by opioid receptors with metadynamics

Biochemistry

Volumn 48, Issue 42, 2009, Pages 10020-10029

  Provasi, Davide ^a   Bortolato, Andrea ^a   Filizola, Marta ^a  

^a MOUNT SINAI SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADRENERGIC RECEPTORS; ANALGESIC DRUGS; BINDING POCKETS; COLLECTIVE VARIABLES; DELTA-OPIOID RECEPTOR; EXPERIMENTAL VALUES; EXTRACELLULAR LOOP 2; FREE ENERGY OF BINDING; G PROTEIN COUPLED RECEPTORS; HIGH RESOLUTION; HOMOLOGY MODELS; LIGAND BINDING; LIGAND RECOGNITION; METADYNAMICS; MOLECULAR LEVELS; MOLECULAR MECHANISM; MOLECULAR MODELS; OPIOID RECEPTORS; SIDE EFFECT; WATER ENVIRONMENTS; X RAY CRYSTAL STRUCTURES;

BINDING ENERGY; CRYSTAL STRUCTURE; DRUG INTERACTIONS;

LIGANDS;

ALKALOID; BETA 2 ADRENERGIC RECEPTOR; DELTA OPIATE RECEPTOR; NALOXONE; OPIATE RECEPTOR;

ARTICLE; CRYSTAL STRUCTURE; ENERGY; HUMAN; METADYNAMICS; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; MOLECULAR RECOGNITION; PREDICTION; PRIORITY JOURNAL; RECEPTOR BINDING; SIMULATION;

BINDING SITES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; HUMANS; LIPIDS; MODELS, MOLECULAR; PROTEIN CONFORMATION; RECEPTORS, OPIOID, DELTA;

EID: 70350230389     PISSN: 00062960     EISSN: None     Source Type: Journal    
DOI: 10.1021/bi901494n     Document Type: Article

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