Toward the solution of the protein structure prediction problem

R Pearce, Y Zhang - Journal of Biological Chemistry, 2021 - ASBMB
Since Anfinsen demonstrated that the information encoded in a protein's amino acid
sequence determines its structure in 1973, solving the protein structure prediction problem …

Deep learning in proteomics

B Wen, WF Zeng, Y Liao, Z Shi, SR Savage… - …, 2020 - Wiley Online Library
Proteomics, the study of all the proteins in biological systems, is becoming a data‐rich
science. Protein sequences and structures are comprehensively catalogued in online …

Folding non-homologous proteins by coupling deep-learning contact maps with I-TASSER assembly simulations

W Zheng, C Zhang, Y Li, R Pearce, EW Bell… - Cell reports methods, 2021 - cell.com
Structure prediction for proteins lacking homologous templates in the Protein Data Bank
(PDB) remains a significant unsolved problem. We developed a protocol, CI-TASSER, to …

High‐accuracy protein structure prediction in CASP14

J Pereira, AJ Simpkin, MD Hartmann… - Proteins: Structure …, 2021 - Wiley Online Library
The application of state‐of‐the‐art deep‐learning approaches to the protein modeling
problem has expanded the “high‐accuracy” category in CASP14 to encompass all targets …

Biological structure and function emerge from scaling unsupervised learning to 250 million protein sequences

A Rives, J Meier, T Sercu, S Goyal… - Proceedings of the …, 2021 - National Acad Sciences
In the field of artificial intelligence, a combination of scale in data and model capacity
enabled by unsupervised learning has led to major advances in representation learning and …

AlphaFold at CASP13

M AlQuraishi - Bioinformatics, 2019 - academic.oup.com
Computational prediction of protein structure from sequence is broadly viewed as a
foundational problem of biochemistry and one of the most difficult challenges in …

Accurate de novo prediction of protein contact map by ultra-deep learning model

S Wang, S Sun, Z Li, R Zhang, J Xu - PLoS computational biology, 2017 - journals.plos.org
Motivation Protein contacts contain key information for the understanding of protein structure
and function and thus, contact prediction from sequence is an important problem. Recently …

Clustering huge protein sequence sets in linear time

M Steinegger, J Söding - Nature communications, 2018 - nature.com
Metagenomic datasets contain billions of protein sequences that could greatly enhance
large-scale functional annotation and structure prediction. Utilizing this enormous resource …

Critical assessment of methods of protein structure prediction (CASP)—Round XII

J Moult, K Fidelis, A Kryshtafovych… - Proteins: Structure …, 2018 - Wiley Online Library
This article reports the outcome of the 12th round of Critical Assessment of Structure
Prediction (CASP12), held in 2016. CASP is a community experiment to determine the state …

Toward the estimation of the absolute quality of individual protein structure models

P Benkert, M Biasini, T Schwede - Bioinformatics, 2011 - academic.oup.com
Motivation: Quality assessment of protein structures is an important part of experimental
structure validation and plays a crucial role in protein structure prediction, where the …