[HTML][HTML] The Historical Evolution and Significance of Multiple Sequence Alignment in Molecular Structure and Function Prediction
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 …
sciences, playing a pivotal role in predicting molecular structures and functions. With broad …
Advancing plant single-cell genomics with foundation models
Single-cell genomics, combined with advanced AI models, hold transformative potential for
understanding complex biological processes in plants. This article reviews deep-learning …
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 …
design, remains challenging for proteins lacking experimentally derived ligand-bound …
Fast protein structure searching using structure graph embeddings
Comparing and searching protein structures independent of primary sequence has proved
useful for remote homology detection, function annotation and protein classification. With the …
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 …
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 …
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
Highlights•Traditional sequence similarity-based protein homology tools struggle to identify
homologs in the twilight zone.•New homolog detection tools that using protein language …
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
Biological foundation models hold significant promise for deciphering complex biological
functions. However, evaluating their performance on functional tasks remains challenging …
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
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 …
language models (LLMs) have flourished and started to be applied in various sectors of …