The dopamine D2 receptor dimer and its interaction with homobivalent antagonists: homology modeling, docking and molecular dynamics

Journal of Molecular Modeling

Volumn 22, Issue 9, 2016, Pages

  Kaczor, Agnieszka A ^a,b   Jörg, Manuela ^c   Capuano, Ben ^c  

^a MEDICAL UNIVERSITY OF LUBLIN   (Poland)

^b UNIVERSITY OF EASTERN FINLAND   (Finland)

^c MONASH UNIVERSITY   (Australia)

Author keywords

Bivalent ligands; Dopamine D2 receptor; GPCR; GPCR dimer; Homology modeling; Molecular docking; Molecular dynamics

Indexed keywords

CHLORPROTHIXENE; CLOZAPINE DERIVATIVE; DOPAMINE 2 RECEPTOR; DOPAMINE 2 RECEPTOR BLOCKING AGENT; ETICLOPRIDE; G PROTEIN COUPLED RECEPTOR; OLANZAPINE; PIPERAZINE DERIVATIVE; PIPERIDINE DERIVATIVE; LIGAND;

ALLOSTERISM; ARTICLE; BINDING SITE; COMPARATIVE STUDY; CONTROLLED STUDY; DISSOCIATION RATE CONSTANT; DRUG CONFORMATION; DRUG RECEPTOR BINDING; EQUILIBRIUM CONSTANT; HILL COEFFICIENT; HUMAN; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PHARMACOPHORE; PRIORITY JOURNAL; PROTEIN PROTEIN INTERACTION; SEQUENCE ALIGNMENT; STATIC ELECTRICITY; CHEMISTRY; CONFORMATION; METABOLISM; MOLECULAR MODEL;

BINDING SITES; DOPAMINE D2 RECEPTOR ANTAGONISTS; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; RECEPTORS, DOPAMINE D2;

EID: 84982811760     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-016-3065-2     Document Type: Article

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