AIMC Topic: Computational Biology

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Efficiently quantifying dependence in massive scientific datasets using InterDependence Scores.

Proceedings of the National Academy of Sciences of the United States of America
Large-scale scientific datasets today contain tens of thousands of random variables across millions of samples (for example, the RNA expression levels of 20,000 protein-coding genes across 30 million single cells). Being able to quantify dependencies...

Anoikis-related genes predicts prognosis and therapeutic response in renal cell carcinoma.

Annals of medicine
BACKGROUND: Metastasis represents the primary cause of cancer-related mortality, with a high incidence observed in renal cell carcinoma (RCC). Anoikis, a specialized form of apoptosis, plays a crucial role in preventing displaced cells from adhering ...

Sparse autoencoders uncover biologically interpretable features in protein language model representations.

Proceedings of the National Academy of Sciences of the United States of America
Foundation models in biology-particularly protein language models (PLMs)-have enabled ground-breaking predictions in protein structure, function, and beyond. However, the "black-box" nature of these representations limits transparency and explainabil...

NetStart 2.0: prediction of eukaryotic translation initiation sites using a protein language model.

BMC bioinformatics
BACKGROUND: Accurate identification of translation initiation sites is essential for the proper translation of mRNA into functional proteins. In eukaryotes, the choice of the translation initiation site is influenced by multiple factors, including it...

Machine learning based screening of biomarkers associated with cell death and immunosuppression of multiple life stages sepsis populations.

Scientific reports
Sepsis is a condition resulting from the uncontrolled immune response to infection, leading to widespread inflammatory damage and potentially fatal organ dysfunction. Currently, there is a lack of specific prevention and treatment strategies for seps...

GATRsite: RNA-Ligand Binding Site Prediction Using Graph Attention Networks and Pretrained RNA Language Models.

Journal of chemical information and modeling
Identifying functional sites of RNA, particularly those where small molecules bind, is crucial for understanding related biological processes and advancing drug design. Small molecule therapies, compared to traditional protein-targeted therapies, hav...

MEGDTA: multi-modal drug-target affinity prediction based on protein three-dimensional structure and ensemble graph neural network.

BMC genomics
BACKGROUND: Drug development is a time-consuming and costly endeavor, and utilizing computer-aided methods to predict drug-target affinity (DTA) can significantly accelerate this process. The key to accurate DTA prediction lies in selecting appropria...

Integrating bioinformatics analysis, machine learning, and experimental validation to identify pyroptosis-related genes in the diagnosis of sepsis combined with acute liver failure.

Hereditas
BACKGROUND: Sepsis is frequently combined with acute liver failure (ALF), a critical determinant in the mortality of septic patients. Pyroptosis is a significant form of programmed cell death that plays an important role in the inflammatory response....

Prediction of human pathogenic start loss variants based on self-supervised contrastive learning.

BMC biology
BACKGROUND: Start loss variants are a class of genetic variants that affect the bases of the start codon, disrupting the normal translation initiation process and leading to protein deletions or the production of different proteins. Accurate assessme...

AAGP integrates physicochemical and compositional features for machine learning-based prediction of anti-aging peptides.

Scientific reports
Aging is a natural phenomenon characterized by the loss of normal morphology and physiological functioning of the body, causing wrinkles on the skin, loss of hair, and compromised immune systems. Peptide therapies have emerged as a promising approach...