Protein design via deep learning

W Ding, K Nakai, H Gong - Briefings in bioinformatics, 2022 - academic.oup.com
Proteins with desired functions and properties are important in fields like nanotechnology
and biomedicine. De novo protein design enables the production of previously unseen …

Protein structure prediction in the deep learning era

Z Peng, W Wang, R Han, F Zhang, J Yang - Current Opinion in Structural …, 2022 - Elsevier
Significant advances have been achieved in protein structure prediction, especially with the
recent development of the AlphaFold2 and the RoseTTAFold systems. This article reviews …

Improved protein structure prediction using a new multi‐scale network and homologous templates

H Su, W Wang, Z Du, Z Peng, SH Gao… - Advanced …, 2021 - Wiley Online Library
The accuracy of de novo protein structure prediction has been improved considerably in
recent years, mostly due to the introduction of deep learning techniques. In this work …

Complex structure and activation mechanism of arginine kinase McsB by McsA

K Lu, B Luo, X Tao, Y Luo, M Ao, B Zheng, X Xu… - Nature Chemical …, 2024 - nature.com
Protein phosphorylation is a pivotal post-translational modification modulating various
cellular processes. In Gram-positive bacteria, the protein arginine kinase McsB, along with …

Mechanistic insights into the enzymatic activity of E3 ligase HOIL-1L and its regulation by the linear ubiquitin chain binding

X Xu, Y Wang, Y Zhang, Y Wang, Y Yin, C Peng… - Science …, 2023 - science.org
Heme-oxidized IRP2 ubiquitin ligase 1 (HOIL-1L) serves as a unique E3 ligase to catalyze
the mono-ubiquitination of relevant protein or sugar substrates and plays vital roles in …

TMEM161B regulates cerebral cortical gyration, Sonic Hedgehog signaling, and ciliary structure in the developing central nervous system

SK Akula, JH Marciano, Y Lim… - Proceedings of the …, 2023 - National Acad Sciences
Sonic hedgehog signaling regulates processes of embryonic development across multiple
tissues, yet factors regulating context-specific Shh signaling remain poorly understood …

Study on the saltiness-enhancing mechanism of chicken-derived umami peptides by sensory evaluation and molecular docking to transmembrane channel-like …

J Zhang, W He, L Liang, B Sun, Y Zhang - Food Research International, 2024 - Elsevier
The previously obtained chicken-derived umami peptides in the laboratory were evaluated
for their saltiness-enhancing effect by sensory evaluation and S-curve, and the results …

Drugood: Out-of-distribution dataset curator and benchmark for ai-aided drug discovery–a focus on affinity prediction problems with noise annotations

Y Ji, L Zhang, J Wu, B Wu, L Li, LK Huang… - Proceedings of the …, 2023 - ojs.aaai.org
AI-aided drug discovery (AIDD) is gaining popularity due to its potential to make the search
for new pharmaceuticals faster, less expensive, and more effective. Despite its extensive use …

Inter-domain distance prediction based on deep learning for domain assembly

F Ge, C Peng, X Cui, Y Xia… - Briefings in Bioinformatics, 2023 - academic.oup.com
AlphaFold2 achieved a breakthrough in protein structure prediction through the end-to-end
deep learning method, which can predict nearly all single-domain proteins at experimental …

Recent progress of protein tertiary structure prediction

Q Wuyun, Y Chen, Y Shen, Y Cao, G Hu, W Cui, J Gao… - Molecules, 2024 - mdpi.com
The prediction of three-dimensional (3D) protein structure from amino acid sequences has
stood as a significant challenge in computational and structural bioinformatics for decades …