Ligand Binding Pathways of Clozapine and Haloperidol in the Dopamine D2 and D3 Receptors

Journal of Chemical Information and Modeling

Volumn 56, Issue 2, 2016, Pages 308-321

  Thomas, Trayder ^a   Fang, Yu ^a   Yuriev, Elizabeth ^a   Chalmers, David K ^a  

^a MONASH UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; BINDING ENERGY; CLUSTER ANALYSIS; MOLECULAR DYNAMICS; NEUROPHYSIOLOGY;

BINDING AFFINITIES; INTERMEDIATE STATE; META-STABLE STATE; MOLECULAR DYNAMICS SIMULATIONS; PROTEIN TARGETS; RECEPTOR ANTAGONISTS; SMALL MOLECULES; TIME-SCALE SIMULATION;

LIGANDS;

CLOZAPINE; DOPAMINE 2 RECEPTOR; DOPAMINE 3 RECEPTOR; HALOPERIDOL; LIGAND; PROTEIN BINDING;

METABOLISM; MOLECULAR DYNAMICS;

CLOZAPINE; HALOPERIDOL; LIGANDS; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; RECEPTORS, DOPAMINE D2; RECEPTORS, DOPAMINE D3;

EID: 84961116197     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/acs.jcim.5b00457     Document Type: Article

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