I-TASSER-MTD: a deep-learning-based platform for multi-domain protein structure and function prediction

X Zhou, W Zheng, Y Li, R Pearce, C Zhang, EW Bell… - Nature …, 2022 - nature.com
Most proteins in cells are composed of multiple folding units (or domains) to perform
complex functions in a cooperative manner. Relative to the rapid progress in single-domain …

[HTML][HTML] Exploring the computational methods for protein-ligand binding site prediction

J Zhao, Y Cao, L Zhang - Computational and structural biotechnology …, 2020 - Elsevier
Proteins participate in various essential processes in vivo via interactions with other
molecules. Identifying the residues participating in these interactions not only provides …

Enzyme function prediction using contrastive learning

T Yu, H Cui, JC Li, Y Luo, G Jiang, H Zhao - Science, 2023 - science.org
Enzyme function annotation is a fundamental challenge, and numerous computational tools
have been developed. However, most of these tools cannot accurately predict functional …

COFACTOR: improved protein function prediction by combining structure, sequence and protein–protein interaction information

C Zhang, PL Freddolino, Y Zhang - Nucleic acids research, 2017 - academic.oup.com
The COFACTOR web server is a unified platform for structure-based multiple-level protein
function predictions. By structurally threading low-resolution structural models through the …

I-TASSER server: new development for protein structure and function predictions

J Yang, Y Zhang - Nucleic acids research, 2015 - academic.oup.com
The I-TASSER server (http://zhanglab. ccmb. med. umich. edu/I-TASSER) is an online
resource for automated protein structure prediction and structure-based function annotation …

[HTML][HTML] P2Rank: machine learning based tool for rapid and accurate prediction of ligand binding sites from protein structure

R Krivák, D Hoksza - Journal of cheminformatics, 2018 - Springer
Background Ligand binding site prediction from protein structure has many applications
related to elucidation of protein function and structure based drug discovery. It often …

PrankWeb: a web server for ligand binding site prediction and visualization

L Jendele, R Krivak, P Skoda, M Novotny… - Nucleic acids …, 2019 - academic.oup.com
PrankWeb is an online resource providing an interface to P2Rank, a state-of-the-art method
for ligand binding site prediction. P2Rank is a template-free machine learning method based …

Protein structure and function prediction using I‐TASSER

J Yang, Y Zhang - Current protocols in bioinformatics, 2015 - Wiley Online Library
I‐TASSER is a hierarchical protocol for automated protein structure prediction and structure‐
based function annotation. Starting from the amino acid sequence of target proteins, I …

Protein–ligand binding site recognition using complementary binding-specific substructure comparison and sequence profile alignment

J Yang, A Roy, Y Zhang - Bioinformatics, 2013 - academic.oup.com
Motivation: Identification of protein–ligand binding sites is critical to protein function
annotation and drug discovery. However, there is no method that could generate optimal …

DEEPre: sequence-based enzyme EC number prediction by deep learning

Y Li, S Wang, R Umarov, B Xie, M Fan, L Li… - …, 2018 - academic.oup.com
Motivation Annotation of enzyme function has a broad range of applications, such as
metagenomics, industrial biotechnology, and diagnosis of enzyme deficiency-caused …