[HTML][HTML] Antimicrobial resistance crisis: could artificial intelligence be the solution?

GY Liu, D Yu, MM Fan, X Zhang, ZY Jin, C Tang… - Military Medical …, 2024 - Springer
Antimicrobial resistance is a global public health threat, and the World Health Organization
(WHO) has announced a priority list of the most threatening pathogens against which novel …

Recent advances and challenges in protein structure prediction

CX Peng, F Liang, YH Xia, KL Zhao… - Journal of Chemical …, 2023 - ACS Publications
Artificial intelligence has made significant advances in the field of protein structure prediction
in recent years. In particular, DeepMind's end-to-end model, AlphaFold2, has demonstrated …

ForceGen: End-to-end de novo protein generation based on nonlinear mechanical unfolding responses using a language diffusion model

B Ni, DL Kaplan, MJ Buehler - Science Advances, 2024 - science.org
Through evolution, nature has presented a set of remarkable protein materials, including
elastins, silks, keratins and collagens with superior mechanical performances that play …

Scientific large language models: A survey on biological & chemical domains

Q Zhang, K Ding, T Lyv, X Wang, Q Yin… - arXiv preprint arXiv …, 2024 - arxiv.org
Large Language Models (LLMs) have emerged as a transformative power in enhancing
natural language comprehension, representing a significant stride toward artificial general …

DeepFold: enhancing protein structure prediction through optimized loss functions, improved template features, and re-optimized energy function

JW Lee, JH Won, S Jeon, Y Choo, Y Yeon, JS Oh… - …, 2023 - academic.oup.com
Motivation Predicting protein structures with high accuracy is a critical challenge for the
broad community of life sciences and industry. Despite progress made by deep neural …

Single-sequence protein structure prediction by integrating protein language models

X Jing, F Wu, X Luo, J Xu - Proceedings of the National …, 2024 - National Acad Sciences
Protein structure prediction has been greatly improved by deep learning in the past few
years. However, the most successful methods rely on multiple sequence alignment (MSA) of …

[HTML][HTML] 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 …

[HTML][HTML] Protein–protein interaction site prediction by model ensembling with hybrid feature and self-attention

H Cong, H Liu, Y Cao, C Liang, Y Chen - BMC bioinformatics, 2023 - Springer
Abstract Background Protein–protein interactions (PPIs) are crucial in various biological
functions and cellular processes. Thus, many computational approaches have been …

Linguistics-based formalization of the antibody language as a basis for antibody language models

MH Vu, PA Robert, R Akbar, B Swiatczak… - Nature Computational …, 2024 - nature.com
Apparent parallels between natural language and antibody sequences have led to a surge
in deep language models applied to antibody sequences for predicting cognate antigen …

A Survey of Geometric Graph Neural Networks: Data Structures, Models and Applications

J Han, J Cen, L Wu, Z Li, X Kong, R Jiao, Z Yu… - arXiv preprint arXiv …, 2024 - arxiv.org
Geometric graph is a special kind of graph with geometric features, which is vital to model
many scientific problems. Unlike generic graphs, geometric graphs often exhibit physical …