patGPCR : A Multitemplate Approach for Improving 3D Structure Prediction of Transmembrane Helices of G-Protein-Coupled Receptors
Joint Authors
Quan, Lijun
Qian, Peide
Wu, Hongjie
Xia, Xiaoyan
Lü, Qiang
Source
Computational and Mathematical Methods in Medicine
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-12, 12 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2013-03-11
Country of Publication
Egypt
No. of Pages
12
Main Subjects
Abstract EN
The structures of the seven transmembrane helices of G-protein-coupled receptors are critically involved in many aspects of these receptors, such as receptor stability, ligand docking, and molecular function.
Most of the previous multitemplate approaches have built a “super” template with very little merging of aligned fragments from different templates.
Here, we present a parallelized multitemplate approach, patGPCR, to predict the 3D structures of transmembrane helices of G-protein-coupled receptors.
patGPCR, which employs a bundle-packing related energy function that extends on the RosettaMem energy, parallelizes eight pipelines for transmembrane helix refinement and exchanges the optimized helix structures from multiple templates.
We have investigated the performance of patGPCR on a test set containing eight determined G-protein-coupled receptors.
The results indicate that patGPCR improves the TM RMSD of the predicted models by 33.64% on average against a single-template method.
Compared with other homology approaches, the best models for five of the eight targets built by patGPCR had a lower TM RMSD than that obtained from SWISS-MODEL; patGPCR also showed lower average TM RMSD than single-template and multiple-template MODELLER.
American Psychological Association (APA)
Wu, Hongjie& Lü, Qiang& Quan, Lijun& Qian, Peide& Xia, Xiaoyan. 2013. patGPCR : A Multitemplate Approach for Improving 3D Structure Prediction of Transmembrane Helices of G-Protein-Coupled Receptors. Computational and Mathematical Methods in Medicine،Vol. 2013, no. 2013, pp.1-12.
https://search.emarefa.net/detail/BIM-475449
Modern Language Association (MLA)
Wu, Hongjie…[et al.]. patGPCR : A Multitemplate Approach for Improving 3D Structure Prediction of Transmembrane Helices of G-Protein-Coupled Receptors. Computational and Mathematical Methods in Medicine No. 2013 (2013), pp.1-12.
https://search.emarefa.net/detail/BIM-475449
American Medical Association (AMA)
Wu, Hongjie& Lü, Qiang& Quan, Lijun& Qian, Peide& Xia, Xiaoyan. patGPCR : A Multitemplate Approach for Improving 3D Structure Prediction of Transmembrane Helices of G-Protein-Coupled Receptors. Computational and Mathematical Methods in Medicine. 2013. Vol. 2013, no. 2013, pp.1-12.
https://search.emarefa.net/detail/BIM-475449
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-475449