AI Medical Compendium Topic:
Computational Biology

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Protein-Protein Interfaces: A Graph Neural Network Approach.

International journal of molecular sciences
Protein-protein interactions (PPIs) are fundamental processes governing cellular functions, crucial for understanding biological systems at the molecular level. Compared to experimental methods for PPI prediction and site identification, computationa...

MoRF_ESM: Prediction of MoRFs in disordered proteins based on a deep transformer protein language model.

Journal of bioinformatics and computational biology
Molecular recognition features (MoRFs) are particular functional segments of disordered proteins, which play crucial roles in regulating the phase transition of membrane-less organelles and frequently serve as central sites in cellular interaction ne...

Prediction of peptide hormones using an ensemble of machine learning and similarity-based methods.

Proteomics
Peptide hormones serve as genome-encoded signal transduction molecules that play essential roles in multicellular organisms, and their dysregulation can lead to various health problems. In this study, we propose a method for predicting hormonal pepti...

Prediction of Protein-Protein Interactions Based on Integrating Deep Learning and Feature Fusion.

International journal of molecular sciences
Understanding protein-protein interactions (PPIs) helps to identify protein functions and develop other important applications such as drug preparation and protein-disease relationship identification. Deep-learning-based approaches are being intensel...

Identification of key genes and biological pathways associated with vascular aging in diabetes based on bioinformatics and machine learning.

Aging
Vascular aging exacerbates diabetes-associated vascular damage, a major cause of microvascular and macrovascular complications. This study aimed to elucidate key genes and pathways underlying vascular aging in diabetes using integrated bioinformatics...

Mechanism-based organization of neural networks to emulate systems biology and pharmacology models.

Scientific reports
Deep learning neural networks are often described as black boxes, as it is difficult to trace model outputs back to model inputs due to a lack of clarity over the internal mechanisms. This is even true for those neural networks designed to emulate me...

PfgPDI: Pocket feature-enabled graph neural network for protein-drug interaction prediction.

Journal of bioinformatics and computational biology
Biomolecular interaction recognition between ligands and proteins is an essential task, which largely enhances the safety and efficacy in drug discovery and development stage. Studying the interaction between proteins and ligands can improve the unde...

Integrating Bioinformatics and Machine Learning for Genomic Prediction in Chickens.

Genes
Genomic prediction plays an increasingly important role in modern animal breeding, with predictive accuracy being a crucial aspect. The classical linear mixed model is gradually unable to accommodate the growing number of target traits and the increa...

Integrative modeling meets deep learning: Recent advances in modeling protein assemblies.

Current opinion in structural biology
Recent progress in protein structure prediction based on deep learning revolutionized the field of Structural Biology. Beyond single proteins, it also enabled high-throughput prediction of structures of protein-protein interactions. Despite the succe...