Paper Info
Title
Galaxy7TM: flexible GPCR-ligand docking by structure refinement.
Abstract
G-protein-coupled receptors (GPCRs) play important physiological roles related to signal transduction and form a major group of drug targets. Prediction of GPCR-ligand complex structures has therefore important implications to drug discovery. With previously available servers, it was only possible to first predict GPCR structures by homology modeling and then perform ligand docking on the model structures. However, model structures generated without explicit consideration of specific ligands of interest can be inaccurate because GPCR structures can be affected by ligand binding. The Galaxy7TM server, freely accessible at http://galaxy.seoklab.org/7TM, improves an input GPCR structure by simultaneous ligand docking and flexible structure refinement using GALAXY methods. The server shows better performance in both ligand docking and GPCR structure refinement than commonly used programs AutoDock Vina and Rosetta MPrelax, respectively.
Year
DOI
Venue
2016
10.1093/nar/gkw360
NUCLEIC ACIDS RESEARCH
Field
DocType
Volume
Drug discovery,Biology,Ligand (biochemistry),Searching the conformational space for docking,Ligand,Docking (dog),Molecular Docking Simulation,Computational biology,Bioinformatics,Genetics,AutoDock,Homology modeling
Journal
44
Issue
ISSN
Citations 
W1
0305-1048
0
PageRank 
References 
Authors
0.34
0
2
Name
Order
Citations
PageRank
Gyu Rie Lee141.41
Chaok Seok216315.89