AIMC Topic: Computational Biology

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Interpretable identification of cancer genes across biological networks via transformer-powered graph representation learning.

Nature biomedical engineering
Graph representation learning has been leveraged to identify cancer genes from biological networks. However, its applicability is limited by insufficient interpretability and generalizability under integrative network analysis. Here we report the dev...

Lessons from Deep Learning Structural Prediction of Multistate Multidomain Proteins-The Case Study of Coiled-Coil NOD-like Receptors.

International journal of molecular sciences
We test here the prediction capabilities of the new generation of deep learning predictors in the more challenging situation of multistate multidomain proteins by using as a case study a coiled-coil family of Nucleotide-binding Oligomerization Domain...

Eight quick tips for biologically and medically informed machine learning.

PLoS computational biology
Machine learning has become a powerful tool for computational analysis in the biomedical sciences, with its effectiveness significantly enhanced by integrating domain-specific knowledge. This integration has give rise to informed machine learning, in...

Multi-region infectious disease prediction modeling based on spatio-temporal graph neural network and the dynamic model.

PLoS computational biology
Human mobility between different regions is a major factor in large-scale outbreaks of infectious diseases. Deep learning models incorporating infectious disease transmission dynamics for predicting the spread of multi-regional outbreaks due to human...

Developing machine-learning-based amyloidogenicity predictors with Cross-Beta DB.

Alzheimer's & dementia : the journal of the Alzheimer's Association
INTRODUCTION: The importance of protein amyloidogenesis, associated with various diseases and functional roles, has driven the creation of computational predictors of amyloidogenicity. The accuracy of these predictors, particularly those utilizing ar...

Deciphering hub genes and immune landscapes related to neutrophil extracellular traps in rheumatoid arthritis: insights from integrated bioinformatics analyses and experiments.

Frontiers in immunology
BACKGROUND: Rheumatoid arthritis (RA) is a chronic autoimmune disease characterized by synovial inflammation and progressive joint destruction. Neutrophil extracellular traps (NETs), a microreticular structure formed after neutrophil death, have rece...

Comprehensive bioinformatics analysis identifies metabolic and immune-related diagnostic biomarkers shared between diabetes and COPD using multi-omics and machine learning.

Frontiers in endocrinology
BACKGROUND: Diabetes and chronic obstructive pulmonary disease (COPD) are prominent global health challenges, each imposing significant burdens on affected individuals, healthcare systems, and society. However, the specific molecular mechanisms suppo...

NRGCNMDA: Microbe-Drug Association Prediction Based on Residual Graph Convolutional Networks and Conditional Random Fields.

Interdisciplinary sciences, computational life sciences
The process of discovering new drugs related to microbes through traditional biological methods is lengthy and costly. In response to these issues, a new computational model (NRGCNMDA) is proposed to predict microbe-drug associations. First, Node2vec...

SProtFP: a machine learning-based method for functional classification of small ORFs in prokaryotes.

NAR genomics and bioinformatics
Small proteins (≤100 amino acids) play important roles across all life forms, ranging from unicellular bacteria to higher organisms. In this study, we have developed SProtFP which is a machine learning-based method for functional annotation of prokar...