000889849 001__ 889849
000889849 005__ 20230815122843.0
000889849 0247_ $$2doi$$a10.1021/acs.jcim.0c01202
000889849 0247_ $$2ISSN$$a0095-2338
000889849 0247_ $$2ISSN$$a1520-5142
000889849 0247_ $$2ISSN$$a(BIS
000889849 0247_ $$2ISSN$$a44.2004)
000889849 0247_ $$2ISSN$$a1549-9596
000889849 0247_ $$2ISSN$$a1549-960X
000889849 0247_ $$2Handle$$a2128/27236
000889849 0247_ $$2altmetric$$aaltmetric:98014319
000889849 0247_ $$2pmid$$a33464891
000889849 0247_ $$2WOS$$aWOS:000621663600002
000889849 037__ $$aFZJ-2021-00457
000889849 082__ $$a540
000889849 1001_ $$00000-0003-2162-5918$$aMulnaes, Daniel$$b0
000889849 245__ $$aTopSuite Web Server: A Meta-Suite for Deep-Learning-Based Protein Structure and Quality Prediction
000889849 260__ $$aWashington, DC$$bAmerican Chemical Society64160$$c2021
000889849 3367_ $$2DRIVER$$aarticle
000889849 3367_ $$2DataCite$$aOutput Types/Journal article
000889849 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1641839366_21106
000889849 3367_ $$2BibTeX$$aARTICLE
000889849 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000889849 3367_ $$00$$2EndNote$$aJournal Article
000889849 520__ $$aProteins carry out the most fundamental processes of life such as cellular metabolism, regulation, and communication. Understanding these processes at a molecular level requires knowledge of their three-dimensional structures. Experimental techniques such as X-ray crystallography, NMR spectroscopy, and cryogenic electron microscopy can resolve protein structures but are costly and time-consuming and do not work for all proteins. Computational protein structure prediction tries to overcome these problems by predicting the structure of a new protein using existing protein structures as a resource. Here we present TopSuite, a web server for protein model quality assessment (TopScore) and template-based protein structure prediction (TopModel). TopScore provides meta-predictions for global and residue-wise model quality estimation using deep neural networks. TopModel predicts protein structures using a top-down consensus approach to aid the template selection and subsequently uses TopScore to refine and assess the predicted structures. The TopSuite Web server is freely available at https://cpclab.uni-duesseldorf.de/topsuite/.
000889849 536__ $$0G:(DE-HGF)POF4-5111$$a5111 - Domain-Specific Simulation  Data Life Cycle Labs (SDLs) and Research Groups (POF4-511)$$cPOF4-511$$fPOF IV$$x0
000889849 536__ $$0G:(DE-Juel1)hkf7_20200501$$aForschergruppe Gohlke (hkf7_20200501)$$chkf7_20200501$$fForschergruppe Gohlke$$x1
000889849 536__ $$0G:(GEPRIS)267205415$$aDFG project 267205415 - SFB 1208: Identität und Dynamik von Membransystemen - von Molekülen bis zu zellulären Funktionen $$c267205415$$x2
000889849 588__ $$aDataset connected to CrossRef
000889849 7001_ $$00000-0003-0852-440X$$aKoenig, Filip$$b1
000889849 7001_ $$0P:(DE-Juel1)172663$$aGohlke, Holger$$b2$$eCorresponding author
000889849 773__ $$0PERI:(DE-600)1491237-5$$a10.1021/acs.jcim.0c01202$$gp. acs.jcim.0c01202$$n2$$p548–553$$tJournal of chemical information and modeling$$v61$$x1549-960X$$y2021
000889849 8564_ $$uhttps://juser.fz-juelich.de/record/889849/files/TopSuite_webserver_rev_final.pdf$$yPublished on 2021-01-19. Available in OpenAccess from 2022-01-19.
000889849 8564_ $$uhttps://juser.fz-juelich.de/record/889849/files/acs.jcim.0c01202.pdf$$yRestricted
000889849 909CO $$ooai:juser.fz-juelich.de:889849$$pdnbdelivery$$pdriver$$pVDB$$popen_access$$popenaire
000889849 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)172663$$aForschungszentrum Jülich$$b2$$kFZJ
000889849 9131_ $$0G:(DE-HGF)POF4-511$$1G:(DE-HGF)POF4-510$$2G:(DE-HGF)POF4-500$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF4-5111$$aDE-HGF$$bKey Technologies$$lEngineering Digital Futures – Supercomputing, Data Management and Information Security for Knowledge and Action$$vEnabling Computational- & Data-Intensive Science and Engineering$$x0
000889849 9130_ $$0G:(DE-HGF)POF3-511$$1G:(DE-HGF)POF3-510$$2G:(DE-HGF)POF3-500$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$aDE-HGF$$bKey Technologies$$lSupercomputing & Big Data$$vComputational Science and Mathematical Methods$$x0
000889849 9141_ $$y2021
000889849 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS$$d2020-08-28
000889849 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline$$d2020-08-28
000889849 915__ $$0StatID:(DE-HGF)0530$$2StatID$$aEmbargoed OpenAccess
000889849 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bJ CHEM INF MODEL : 2018$$d2020-08-28
000889849 915__ $$0StatID:(DE-HGF)0113$$2StatID$$aWoS$$bScience Citation Index Expanded$$d2020-08-28
000889849 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection$$d2020-08-28
000889849 915__ $$0StatID:(DE-HGF)9900$$2StatID$$aIF < 5$$d2020-08-28
000889849 915__ $$0StatID:(DE-HGF)1150$$2StatID$$aDBCoverage$$bCurrent Contents - Physical, Chemical and Earth Sciences$$d2020-08-28
000889849 915__ $$0StatID:(DE-HGF)0160$$2StatID$$aDBCoverage$$bEssential Science Indicators$$d2020-08-28
000889849 915__ $$0StatID:(DE-HGF)0420$$2StatID$$aNationallizenz$$d2020-08-28$$wger
000889849 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bClarivate Analytics Master Journal List$$d2020-08-28
000889849 920__ $$lyes
000889849 9201_ $$0I:(DE-Juel1)JSC-20090406$$kJSC$$lJülich Supercomputing Center$$x0
000889849 9201_ $$0I:(DE-Juel1)NIC-20090406$$kNIC$$lJohn von Neumann - Institut für Computing$$x1
000889849 9201_ $$0I:(DE-Juel1)IBI-7-20200312$$kIBI-7$$lStrukturbiochemie$$x2
000889849 980__ $$ajournal
000889849 980__ $$aVDB
000889849 980__ $$aI:(DE-Juel1)JSC-20090406
000889849 980__ $$aI:(DE-Juel1)NIC-20090406
000889849 980__ $$aI:(DE-Juel1)IBI-7-20200312
000889849 980__ $$aUNRESTRICTED
000889849 9801_ $$aFullTexts