[HTML][HTML] The Historical Evolution and Significance of Multiple Sequence Alignment in Molecular Structure and Function Prediction

C Zhang, Q Wang, Y Li, A Teng, G Hu, Q Wuyun… - …, 2024 - pmc.ncbi.nlm.nih.gov
Multiple sequence alignment (MSA) has evolved into a fundamental tool in the biological
sciences, playing a pivotal role in predicting molecular structures and functions. With broad …

Advancing plant single-cell genomics with foundation models

TN Chau, X Wang, JM McDowell, S Li - Current Opinion in Plant Biology, 2024 - Elsevier
Single-cell genomics, combined with advanced AI models, hold transformative potential for
understanding complex biological processes in plants. This article reviews deep-learning …

Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning

J Wang, Y Liu, B Tian - Journal of cheminformatics, 2024 - Springer
Predicting protein-small molecule binding sites, the initial step in structure-guided drug
design, remains challenging for proteins lacking experimentally derived ligand-bound …

Fast protein structure searching using structure graph embeddings

JG Greener, K Jamali - bioRxiv, 2022 - biorxiv.org
Comparing and searching protein structures independent of primary sequence has proved
useful for remote homology detection, function annotation and protein classification. With the …

Automated Engineering Protein Dynamics via Loop Grafting: Improving Renilla Luciferase Catalysis

J Planas-Iglesias, M Majerova, D Pluskal… - ACS …, 2025 - ACS Publications
Engineering protein dynamics is a challenging and unsolved problem in protein design.
Loop transplantation or loop grafting has been previously employed to transfer dynamic …

[HTML][HTML] Detection of circular permutations by Protein Language Models

Y Hu, B Huang, CZ Zang, JJ Xu - Computational and Structural …, 2025 - Elsevier
Protein circular permutations are crucial for understanding protein evolution and
functionality. Traditional detection methods face challenges: sequence-based approaches …

Major advances in protein function assignment by remote homolog detection with protein language models–A review

M Kilinc, K Jia, RL Jernigan - Current Opinion in Structural Biology, 2025 - Elsevier
Highlights•Traditional sequence similarity-based protein homology tools struggle to identify
homologs in the twilight zone.•New homolog detection tools that using protein language …

Diverse genomic embedding benchmark for functional evaluation across the tree of life

J West-Roberts, J Kravitz, N Jha, A Cornman, Y Hwang - bioRxiv, 2024 - biorxiv.org
Biological foundation models hold significant promise for deciphering complex biological
functions. However, evaluating their performance on functional tasks remains challenging …

[HTML][HTML] Ai-enabled language models (LMs) to large language models (LLMs) and multimodal large language models (MLLMs) in drug discovery and development

C Chakraborty, M Bhattacharya, S Pal… - Journal of Advanced …, 2025 - Elsevier
Background Due to the recent revolution of artificial intelligence (AI), AI-enabled large
language models (LLMs) have flourished and started to be applied in various sectors of …