Explainable deep hypergraph learning modeling the peptide secondary structure prediction

Y Jiang, R Wang, J Feng, J Jin, S Liang, Z Li… - Advanced …, 2023 - Wiley Online Library
Accurately predicting peptide secondary structures remains a challenging task due to the
lack of discriminative information in short peptides. In this study, PHAT is proposed, a deep …

Machine learning for antimicrobial peptide identification and design

F Wan, F Wong, JJ Collins… - Nature Reviews …, 2024 - nature.com
Artificial intelligence (AI) and machine learning (ML) models are being deployed in many
domains of society and have recently reached the field of drug discovery. Given the …

Deep learning for advancing peptide drug development: Tools and methods in structure prediction and design

X Wu, H Lin, R Bai, H Duan - European Journal of Medicinal Chemistry, 2024 - Elsevier
Peptides can bind challenging disease targets with high affinity and specificity, offering
enormous opportunities for addressing unmet medical needs. However, peptides' unique …

DeepCap-Kcr: accurate identification and investigation of protein lysine crotonylation sites based on capsule network

J Khanal, H Tayara, Q Zou… - Briefings in …, 2022 - academic.oup.com
Lysine crotonylation (Kcr) is a posttranslational modification widely detected in histone and
nonhistone proteins. It plays a vital role in human disease progression and various cellular …

A robust drug–target interaction prediction framework with capsule network and transfer learning

Y Huang, HY Huang, Y Chen, YCD Lin, L Yao… - International Journal of …, 2023 - mdpi.com
Drug–target interactions (DTIs) are considered a crucial component of drug design and drug
discovery. To date, many computational methods were developed for drug–target …

A generalized attraction–repulsion potential and revisited fragment library improves PEP-FOLD peptide structure prediction

V Binette, N Mousseau, P Tuffery - Journal of Chemical Theory …, 2022 - ACS Publications
Fast and accurate structure prediction is essential to the study of peptide function, molecular
targets, and interactions and has been the subject of considerable efforts in the past decade …

[HTML][HTML] Impact of multi-factor features on protein secondary structure prediction

B Dong, Z Liu, D Xu, C Hou, N Niu, G Wang - Biomolecules, 2024 - mdpi.com
Protein secondary structure prediction (PSSP) plays a crucial role in resolving protein
functions and properties. Significant progress has been made in this field in recent years …

Recent advances in computational prediction of secondary and supersecondary structures from protein sequences

J Zhang, J Qian, Q Zou, F Zhou, L Kurgan - … Structures: Methods and …, 2024 - Springer
The secondary structures (SSs) and supersecondary structures (SSSs) underlie the three-
dimensional structure of proteins. Prediction of the SSs and SSSs from protein sequences …

Current computational methods for protein-peptide complex structure prediction

C Yang, X Xu, C Xiang - Current Medicinal Chemistry, 2024 - benthamdirect.com
Peptide-mediated protein-protein interactions (PPIs) play an important role in various
biological processes. The development of peptide-based drugs to modulate PPIs has …

Deep learning in structural bioinformatics: current applications and future perspectives

N Kumar, R Srivastava - Briefings in Bioinformatics, 2024 - academic.oup.com
In this review article, we explore the transformative impact of deep learning (DL) on
structural bioinformatics, emphasizing its pivotal role in a scientific revolution driven by …