Home > Publications database > TopSuite Web Server: A Meta-Suite for Deep-Learning-Based Protein Structure and Quality Prediction > print

001     889849
005     20230815122843.0
024 7 _ |a 10.1021/acs.jcim.0c01202
|2 doi
024 7 _ |a 0095-2338
|2 ISSN
024 7 _ |a 1520-5142
|2 ISSN
024 7 _ |a (BIS
|2 ISSN
024 7 _ |a 44.2004)
|2 ISSN
024 7 _ |a 1549-9596
|2 ISSN
024 7 _ |a 1549-960X
|2 ISSN
024 7 _ |a 2128/27236
|2 Handle
024 7 _ |a altmetric:98014319
|2 altmetric
024 7 _ |a 33464891
|2 pmid
024 7 _ |a WOS:000621663600002
|2 WOS
037 _ _ |a FZJ-2021-00457
082 _ _ |a 540
100 1 _ |a Mulnaes, Daniel
|0 0000-0003-2162-5918
|b 0
245 _ _ |a TopSuite Web Server: A Meta-Suite for Deep-Learning-Based Protein Structure and Quality Prediction
260 _ _ |a Washington, DC
|c 2021
|b American Chemical Society64160
336 7 _ |a article
|2 DRIVER
336 7 _ |a Output Types/Journal article
|2 DataCite
336 7 _ |a Journal Article
|b journal
|m journal
|0 PUB:(DE-HGF)16
|s 1641839366_21106
|2 PUB:(DE-HGF)
336 7 _ |a ARTICLE
|2 BibTeX
336 7 _ |a JOURNAL_ARTICLE
|2 ORCID
336 7 _ |a Journal Article
|0 0
|2 EndNote
520 _ _ |a Proteins carry out the most fundamental processes of life such as cellular metabolism, regulation, and communication. Understanding these processes at a molecular level requires knowledge of their three-dimensional structures. Experimental techniques such as X-ray crystallography, NMR spectroscopy, and cryogenic electron microscopy can resolve protein structures but are costly and time-consuming and do not work for all proteins. Computational protein structure prediction tries to overcome these problems by predicting the structure of a new protein using existing protein structures as a resource. Here we present TopSuite, a web server for protein model quality assessment (TopScore) and template-based protein structure prediction (TopModel). TopScore provides meta-predictions for global and residue-wise model quality estimation using deep neural networks. TopModel predicts protein structures using a top-down consensus approach to aid the template selection and subsequently uses TopScore to refine and assess the predicted structures. The TopSuite Web server is freely available at https://cpclab.uni-duesseldorf.de/topsuite/.
536 _ _ |a 5111 - Domain-Specific Simulation Data Life Cycle Labs (SDLs) and Research Groups (POF4-511)
|0 G:(DE-HGF)POF4-5111
|c POF4-511
|x 0
|f POF IV
536 _ _ |a Forschergruppe Gohlke (hkf7_20200501)
|0 G:(DE-Juel1)hkf7_20200501
|c hkf7_20200501
|x 1
|f Forschergruppe Gohlke
536 _ _ |a DFG project 267205415 - SFB 1208: Identität und Dynamik von Membransystemen - von Molekülen bis zu zellulären Funktionen
|0 G:(GEPRIS)267205415
|c 267205415
|x 2
588 _ _ |a Dataset connected to CrossRef
700 1 _ |a Koenig, Filip
|0 0000-0003-0852-440X
|b 1
700 1 _ |a Gohlke, Holger
|0 P:(DE-Juel1)172663
|b 2
|e Corresponding author
773 _ _ |a 10.1021/acs.jcim.0c01202
|g p. acs.jcim.0c01202
|0 PERI:(DE-600)1491237-5
|n 2
|p 548–553
|t Journal of chemical information and modeling
|v 61
|y 2021
|x 1549-960X
856 4 _ |u https://juser.fz-juelich.de/record/889849/files/TopSuite_webserver_rev_final.pdf
|y Published on 2021-01-19. Available in OpenAccess from 2022-01-19.
856 4 _ |u https://juser.fz-juelich.de/record/889849/files/acs.jcim.0c01202.pdf
|y Restricted
909 C O |o oai:juser.fz-juelich.de:889849
|p openaire
|p open_access
|p VDB
|p driver
|p dnbdelivery
910 1 _ |a Forschungszentrum Jülich
|0 I:(DE-588b)5008462-8
|k FZJ
|b 2
|6 P:(DE-Juel1)172663
913 1 _ |a DE-HGF
|b Key Technologies
|l Engineering Digital Futures – Supercomputing, Data Management and Information Security for Knowledge and Action
|1 G:(DE-HGF)POF4-510
|0 G:(DE-HGF)POF4-511
|3 G:(DE-HGF)POF4
|2 G:(DE-HGF)POF4-500
|4 G:(DE-HGF)POF
|v Enabling Computational- & Data-Intensive Science and Engineering
|9 G:(DE-HGF)POF4-5111
|x 0
913 0 _ |a DE-HGF
|b Key Technologies
|l Supercomputing & Big Data
|1 G:(DE-HGF)POF3-510
|0 G:(DE-HGF)POF3-511
|3 G:(DE-HGF)POF3
|2 G:(DE-HGF)POF3-500
|4 G:(DE-HGF)POF
|v Computational Science and Mathematical Methods
|x 0
914 1 _ |y 2021
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0200
|2 StatID
|b SCOPUS
|d 2020-08-28
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0300
|2 StatID
|b Medline
|d 2020-08-28
915 _ _ |a Embargoed OpenAccess
|0 StatID:(DE-HGF)0530
|2 StatID
915 _ _ |a JCR
|0 StatID:(DE-HGF)0100
|2 StatID
|b J CHEM INF MODEL : 2018
|d 2020-08-28
915 _ _ |a WoS
|0 StatID:(DE-HGF)0113
|2 StatID
|b Science Citation Index Expanded
|d 2020-08-28
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0150
|2 StatID
|b Web of Science Core Collection
|d 2020-08-28
915 _ _ |a IF < 5
|0 StatID:(DE-HGF)9900
|2 StatID
|d 2020-08-28
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)1150
|2 StatID
|b Current Contents - Physical, Chemical and Earth Sciences
|d 2020-08-28
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0160
|2 StatID
|b Essential Science Indicators
|d 2020-08-28
915 _ _ |a Nationallizenz
|0 StatID:(DE-HGF)0420
|2 StatID
|d 2020-08-28
|w ger
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0199
|2 StatID
|b Clarivate Analytics Master Journal List
|d 2020-08-28
920 _ _ |l yes
920 1 _ |0 I:(DE-Juel1)JSC-20090406
|k JSC
|l Jülich Supercomputing Center
|x 0
920 1 _ |0 I:(DE-Juel1)NIC-20090406
|k NIC
|l John von Neumann - Institut für Computing
|x 1
920 1 _ |0 I:(DE-Juel1)IBI-7-20200312
|k IBI-7
|l Strukturbiochemie
|x 2
980 _ _ |a journal
980 _ _ |a VDB
980 _ _ |a I:(DE-Juel1)JSC-20090406
980 _ _ |a I:(DE-Juel1)NIC-20090406
980 _ _ |a I:(DE-Juel1)IBI-7-20200312
980 _ _ |a UNRESTRICTED
980 1 _ |a FullTexts

LibraryCollectionCLSMajorCLSMinorLanguageAuthor
Marc 21