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dc.contributor.authorLensink, Marc F.
dc.contributor.authorBrysbaert, Guillaume
dc.contributor.authorMauri, Théo
dc.contributor.authorNadzirin, Nurul
dc.contributor.authorVelankar, Sameer
dc.contributor.authorChaleil, Raphaël A G
dc.contributor.authorClarence, Tereza
dc.contributor.authorBates, Paul A
dc.contributor.authorKong, Ren
dc.contributor.authorLiu, Bin
dc.contributor.authorYang, Guangbo
dc.contributor.authorLiu, Ming
dc.contributor.authorShi, Hang
dc.contributor.authorLu, Xufeng
dc.contributor.authorChang, Shan
dc.contributor.authorRoy, Raj S
dc.contributor.authorQuadir, Farhan
dc.contributor.authorLiu, Jian
dc.contributor.authorCheng, Jianlin
dc.contributor.authorAntoniak, Anna
dc.contributor.authorCzaplewski, Cezary
dc.contributor.authorGiełdoŃ, Artur
dc.contributor.authorKogut, Mateusz
dc.contributor.authorLipska, Agnieszka G
dc.contributor.authorLiwo, Adam
dc.contributor.authorLubecka, Emilia A
dc.contributor.authorMaszota-Zieleniak, Martyna
dc.contributor.authorSieradzan, Adam K
dc.contributor.authorŚlusarz, Rafał
dc.contributor.authorWesołowski, Patryk A
dc.contributor.authorZiĘba, Karolina
dc.contributor.authorDel Carpio Muñoz, Carlos A
dc.contributor.authorIchiishi, Eiichiro
dc.contributor.authorHarmalkar, Ameya
dc.contributor.authorGray, Jeffrey J
dc.contributor.authorBonvin, Alexandre M.J.J.
dc.contributor.authorAmbrosetti, Francesco
dc.contributor.authorHonorato, Rodrigo Vargas
dc.contributor.authorJandova, Zuzana
dc.contributor.authorJiménez-García, Brian
dc.contributor.authorKoukos, Panagiotis I
dc.contributor.authorVan Keulen, Siri
dc.contributor.authorvan Noort, Charlotte W
dc.contributor.authorRéau, Manon
dc.contributor.authorRoel-Touris, Jorge
dc.contributor.authorKotelnikov, Sergei
dc.contributor.authorPadhorny, Dzmitry
dc.contributor.authorPorter, Kathryn A
dc.contributor.authorAlekseenko, Andrey
dc.contributor.authorIgnatov, Mikhail
dc.contributor.authorDesta, Israel
dc.contributor.authorAshizawa, Ryota
dc.contributor.authorSun, Zhuyezi
dc.contributor.authorGhani, Usman
dc.contributor.authorHashemi, Nasser
dc.contributor.authorVajda, Sandor
dc.contributor.authorKozakov, Dima
dc.contributor.authorRosell, Mireia
dc.contributor.authorRodríguez-Lumbreras, Luis A
dc.contributor.authorFernandez-Recio, Juan
dc.contributor.authorKarczynska, Agnieszka
dc.contributor.authorGrudinin, Sergei
dc.contributor.authorYan, Yumeng
dc.contributor.authorLi, Hao
dc.contributor.authorLin, Peicong
dc.contributor.authorHuang, Sheng-You
dc.contributor.authorChristoffer, Charles
dc.contributor.authorTerashi, Genki
dc.contributor.authorVerburgt, Jacob
dc.contributor.authorSarkar, Daipayan
dc.contributor.authorAderinwale, Tunde
dc.contributor.authorWang, Xiao
dc.contributor.authorKihara, Daisuke
dc.contributor.authorNakamura, Tsukasa
dc.contributor.authorHanazono, Yuya
dc.contributor.authorGowthaman, Ragul
dc.contributor.authorGuest, Johnathan D
dc.contributor.authorYin, Rui
dc.contributor.authorTaherzadeh, Ghazaleh
dc.contributor.authorPierce, Brian G
dc.contributor.authorBarradas Bautista, Didier
dc.contributor.authorCao, Zhen
dc.contributor.authorCavallo, Luigi
dc.contributor.authorOliva, Romina
dc.contributor.authorSun, Yuanfei
dc.contributor.authorZhu, Shaowen
dc.contributor.authorShen, Yang
dc.contributor.authorPark, Taeyong
dc.contributor.authorWoo, Hyeonuk
dc.contributor.authorYang, Jinsol
dc.contributor.authorKwon, Sohee
dc.contributor.authorWon, Jonghun
dc.contributor.authorSeok, Chaok
dc.contributor.authorKiyota, Yasuomi
dc.contributor.authorKobayashi, Shinpei
dc.contributor.authorHarada, Yoshiki
dc.contributor.authorTakeda-Shitaka, Mayuko
dc.contributor.authorKundrotas, Petras J
dc.contributor.authorSingh, Amar
dc.contributor.authorVakser, Ilya A
dc.contributor.authorDapkŪnas, Justas
dc.contributor.authorOlechnovič, Kliment
dc.contributor.authorVenclovas, Česlovas
dc.contributor.authorDuan, Rui
dc.contributor.authorQiu, Liming
dc.contributor.authorZhang, Shuang
dc.contributor.authorZou, Xiaoqin
dc.contributor.authorWodak, Shoshana J
dc.date.accessioned2021-08-30T06:11:47Z
dc.date.available2021-08-30T06:11:47Z
dc.date.issued2021-09-13
dc.date.submitted2021-05-20
dc.identifier.citationLensink, M. F., Brysbaert, G., Mauri, T., Nadzirin, N., Velankar, S., Chaleil, R. A. G., … Liu, B. (2021). Prediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment. Proteins: Structure, Function, and Bioinformatics. doi:10.1002/prot.26222
dc.identifier.issn0887-3585
dc.identifier.pmid34453465
dc.identifier.doi10.1002/prot.26222
dc.identifier.urihttp://hdl.handle.net/10754/670820
dc.description.abstractWe present the results for CAPRI Round 50, the 4th joint CASP-CAPRI protein assembly prediction challenge. The Round comprised a total of 12 targets, including 6 dimers, 3 trimers, and 3 higher-order oligomers. Four of these were easy targets, for which good structural templates were available either for the full assembly, or for the main interfaces (of the higher-order oligomers). Eight were difficult targets for which only distantly related templates were found for the individual subunits. Twenty-five CAPRI groups including 8 automatic servers submitted ~1250 models per target. Twenty groups including 6 servers participated in the CAPRI scoring challenge submitted ~190 models per target. The accuracy of the predicted models was evaluated using the classical CAPRI criteria. The prediction performance was measured by a weighted scoring scheme that takes into account the number of models of acceptable quality or higher submitted by each group as part of their 5 top-ranking models. Compared to the previous CASP-CAPRI challenge, top performing groups submitted such models for a larger fraction (70-75%) of the targets in this Round, but fewer of these models were of high accuracy. Scorer groups achieved stronger performance with more groups submitting correct models for 70-80% of the targets or achieving high accuracy predictions. Servers performed less well in general, except for the MDOCKPP and LZERD servers, who performed on par with human groups. In addition to these results, major advances in methodology are discussed, providing an informative overview of where the prediction of protein assemblies currently stands.
dc.publisherWiley
dc.relation.urlhttps://onlinelibrary.wiley.com/doi/10.1002/prot.26222
dc.rightsArchived with thanks to Proteins
dc.subjectProtein complexes
dc.subjectProtein-protein interaction
dc.subjectDocking
dc.subjectCapri
dc.subjectProtein Docking
dc.subjectCasp
dc.subjectTemplate-based Modeling
dc.subjectOligomeric State
dc.subjectBlind Prediction
dc.subjectProtein Assemblies
dc.titlePrediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment.
dc.typeArticle
dc.contributor.departmentKAUST Catalysis Center (KCC)
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.contributor.departmentChemical Science Program
dc.identifier.journalProteins
dc.rights.embargodate2022-08-28
dc.eprint.versionPost-print
dc.contributor.institutionUniv. Lille, CNRS UMR8576 UGSF Institute for Structural and Functional Glycobiology Lille France
dc.contributor.institutionProtein Data Bank in Europe (PDBe), European Molecular Biology Laboratory European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus Cambridgeshire UK
dc.contributor.institutionBiomolecular Modelling Laboratory The Francis Crick Institute London UK
dc.contributor.institutionInstitute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering Jiangsu University of Technology Changzhou China
dc.contributor.institutionDepartment of Electrical Engineering and Computer Science University of Missouri Columbia Missouri USA
dc.contributor.institutionInstitute for Data Science and Informatics University of Missouri Columbia Missouri USA
dc.contributor.institutionFaculty of Chemistry University of Gdansk Gdansk Poland
dc.contributor.institutionFaculty of Electronics, Telecommunications and Informatics Gdansk University of Technology Gdansk Poland
dc.contributor.institutionIntercollegiate Faculty of Biotechnology University of Gdansk and Medical University of Gdansk Gdansk Poland
dc.contributor.institutionNagoya City University Graduate School of Medical Sciences, Kawasumi, Mizuho-cho Nagoya Japan
dc.contributor.institutionInternational University of Health and Welfare Hospital (IUHW Hospital) Japan
dc.contributor.institutionChemical and Biomolecular Engineering Johns Hopkins University Baltimore Maryland USA
dc.contributor.institutionComputational Structural Biology Group, Bijvoet Centre for Biomolecular Research, Department of Chemistry, Faculty of Science Utrecht University Utrecht The Netherlands
dc.contributor.institutionDepartment of Applied Mathematics and Statistics Stony Brook University Stony Brook New York USA
dc.contributor.institutionLaufer Center for Physical and Quantitative Biology Stony Brook University Stony Brook New York USA
dc.contributor.institutionInnopolis University Russia
dc.contributor.institutionDepartment of Biomedical Engineering Boston University Boston Massachusetts USA
dc.contributor.institutionInstitute of Computer-Aided Design of the Russian Academy of Sciences Moscow Russia
dc.contributor.institutionDepartment of Chemistry Boston University Boston Massachusetts USA
dc.contributor.institutionInstituto de Ciencias de la Vid y del Vino (ICVV) CSIC – Universidad de la Rioja – Gobierno de La Rioja Logrono Spain
dc.contributor.institutionBarcelona Supercomputing Center (BSC) Barcelona Spain
dc.contributor.institutionUniv. Grenoble Alpes, Inria, CNRS, Grenoble INP Grenoble France
dc.contributor.institutionSchool of Physics Huazhong University of Science and Technology Wuhan China
dc.contributor.institutionDepartment of Computer Science Purdue University USA
dc.contributor.institutionDepartment of Biological Sciences Purdue University USA
dc.contributor.institutionGraduate School of Information Sciences Tohoku University Sendai Miyagi Japan
dc.contributor.institutionInstitute for Quantum Life Science, National Institutes for Quantum and Radiological Science and Technology Ibaraki Japan
dc.contributor.institutionUniversity of Maryland Institute for Bioscience and Biotechnology Research Rockville Maryland USA
dc.contributor.institutionDepartment of Cell Biology and Molecular Genetics University of Maryland College Park Maryland USA
dc.contributor.institutionUniversity of Naples “Parthenope” Italy
dc.contributor.institutionDepartment of Electrical and Computer Engineering Texas A&M University College Stations Texas USA
dc.contributor.institutionDepartment of Chemistry Seoul National University Seoul Republic of Korea
dc.contributor.institutionSchool of Pharmacy Kitasato University Tokyo Japan
dc.contributor.institutionComputational Biology Program and Department of Molecular Biosciences University of Kansas Lawrence Kansas USA
dc.contributor.institutionInstitute of Biotechnology, Life Sciences Center Vilnius University Vilnius Lithuania
dc.contributor.institutionDalton Cardiovascular Research Center University of Missouri Columbia Missouri USA
dc.contributor.institutionDepartment of Physics and Astronomy University of Missouri Columbia Missouri USA
dc.contributor.institutionDepartment of Biochemistry University of Missouri Columbia Missouri USA
dc.contributor.institutionVIB-VUB Center for Structural Biology Brussels Belgium
kaust.personBarradas Bautista, Didier
kaust.personCao, Zhen
kaust.personCavallo, Luigi
dc.date.accepted2021-08-05
refterms.dateFOA2021-08-30T06:12:58Z


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