חן קיסר

אקדמי בכיר

Modeling SARS-CoV-2 proteins in the CASP-commons experiment

Andriy Kryshtafovych, John Moult, Wendy M. Billings, Dennis Della Corte, Krzysztof Fidelis, Sohee Kwon, Kliment Olechnovič, Chaok Seok, Česlovas Venclovas, Jonghun Won, Badri Adhikari, Recep Adiyaman, Joaquim Aguirre-Plans, Ivan Anishchenko, Minkyung Baek, David Baker, Frederico Baldassarre, Jacob Barger, Sutanu Bhattacharya, Debswapna Bhattacharya, Mor Bitton, Renzhi Cao, Jianlin Cheng, Charles Christoffer, Cezary Czaplewski, Zongyang Du, Arne Elofsson, Eshel Faraggi, Michael Feig, Narcis Fernandez-Fuentes, Nick Grishin, Sergei Grudinin, Zhiye Guo, Yuya Hanazono, Demis Hassabis, Bryce Hedelius, Lim Heo, Naozumi Hiranuma, Cassandra Hunt, Ilia Igashov, Takashi Ishida, Robert L. Jernigan, David Jones, John Jumper, Maria Kadukova, Shaun Kandathil, Chen Keasar, Daisuke Kihara, Lisa Kinch, Tomer Sidi

Critical Assessment of Structure Prediction (CASP) is an organization aimed at advancing the state of the art in computing protein structure from sequence. In the spring of 2020, CASP launched a community project to compute the structures of the most structurally challenging proteins coded for in the SARS-CoV-2 genome. Forty-seven research groups submitted over 3000 three-dimensional models and 700 sets of accuracy estimates on 10 proteins. The resulting models were released to the public. CASP community members also worked together to provide estimates of local and global accuracy and identify structure-based domain boundaries for some proteins. Subsequently, two of these structures (ORF3a and ORF8) have been solved experimentally, allowing assessment of both model quality and the accuracy estimates. Models from the AlphaFold2 group were found to have good agreement with the experimental structures, with main chain GDT_TS accuracy scores ranging from 63 (a correct topology) to 87 (competitive with experiment).

שפת פרסום אנגלית
דפים 1987-1996
כתב עת Proteins: Structure, Function and Genetics
כרך 89
נושא מספר 12
סטטוס פרסום פורסם - 01.12.2021

Keywords

CASP
COVID
EMA
SARS-CoV-2
model accuracy
protein structure prediction

ASJC Scopus subject areas

Structural Biology
Biochemistry
Molecular Biology

Sustainable Development Goals

SDG 3 - Good Health and Well-being
גישה למסמך
10.1002/prot.26231
קבצים וקישורים אחרים
Link to publication in Scopus