Predicting ligand binding poses for low-resolution membrane protein models: Perspectives from multiscale simulations

Biochemical and Biophysical Research Communications

Volumn 498, Issue 2, 2018, Pages 366-374

  Schneider, Jakob ^a,b   Korshunova, Ksenia ^a,b   Musiani, Francesco ^c   Alfonso Prieto, Mercedes ^a,d   Giorgetti, Alejandro ^a,e   Carloni, Paolo ^a,b,f  

^a FORSCHUNGSZENTRUM JÜLICH   (Germany)

^b RWTH AACHEN UNIVERSITY   (Germany)

^c UNIVERSITY OF BOLOGNA   (Italy)

^d HEINRICH HEINE UNIVERSITY   (Germany)

^e UNIVERSITY OF VERONA   (Italy)

^f VIETNAM NATIONAL UNIVERSITY   (Viet Nam)

Author keywords

Bitter taste receptor; Chemosensory receptor; G protein coupled receptor; Homology modeling; Molecular docking; Molecular mechanics coarse grained simulations

Indexed keywords

G PROTEIN COUPLED RECEPTOR; MEMBRANE PROTEIN; LIGAND;

ARTICLE; BINDING SITE; LIGAND BINDING; MATHEMATICAL MODEL; MOLECULAR DOCKING; MOLECULAR MECHANICS; PREDICTION; PRIORITY JOURNAL; RECEPTOR BINDING; CHEMISTRY; HUMAN; METABOLISM; MOLECULAR DYNAMICS; MOLECULAR MODEL;

BINDING SITES; HUMANS; LIGANDS; MEMBRANE PROTEINS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; RECEPTORS, G-PROTEIN-COUPLED;

EID: 85042027176     PISSN: 0006291X     EISSN: 10902104     Source Type: Journal    
DOI: 10.1016/j.bbrc.2018.01.160     Document Type: Article

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