| Literature DB >> 31427836 |
Wei Zheng1, Chengxin Zhang1, Eric W Bell1, Yang Zhang1.
Abstract
There is an increasing gap between the number of known protein sequences and the number of proteins with experimentally characterized structure and function. To alleviate this issue, we have developed the I-TASSER gateway, an online server for automated and reliable protein structure and function prediction. For a given sequence, I-TASSER starts with template recognition from a known structure library, followed by full-length atomic model construction by iterative assembly simulations of the continuous structural fragments excised from the template alignments. Functional insights are then derived from comparative matching of the predicted model with a library of proteins with known function. The I-TASSER pipeline has been recently integrated with the XSEDE Gateway system to accommodate pressing demand from the user community and increasing computing costs. This report summarizes the configuration of the I-TASSER Gateway with the XSEDE-Comet supercomputer cluster, together with an overview of the I-TASSER method and milestones of its development.Entities:
Keywords: I-TASSER web-server; Protein structure prediction; Structure-based protein function; XSEDE science gateway; annotation
Year: 2019 PMID： 31427836 PMCID： PMC6699767 DOI： 10.1016/j.future.2019.04.011
Source DB: PubMed Journal: Future Gener Comput Syst ISSN： 0167-739X Impact factor: 7.187