AIMC Topic: Proteins

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Computational Methods and Deep Learning for Elucidating Protein Interaction Networks.

Methods in molecular biology (Clifton, N.J.)
Protein interactions play a critical role in all biological processes, but experimental identification of protein interactions is a time- and resource-intensive process. The advances in next-generation sequencing and multi-omics technologies have gre...

Defining the extent of gene function using ROC curvature.

Bioinformatics (Oxford, England)
MOTIVATION: Interactions between proteins help us understand how genes are functionally related and how they contribute to phenotypes. Experiments provide imperfect 'ground truth' information about a small subset of potential interactions in a specif...

GeoPacker: A novel deep learning framework for protein side-chain modeling.

Protein science : a publication of the Protein Society
Atomic interactions play essential roles in protein folding, structure stabilization, and function performance. Recent advances in deep learning-based methods have achieved impressive success not only in protein structure prediction, but also in prot...

BindWeb: A web server for ligand binding residue and pocket prediction from protein structures.

Protein science : a publication of the Protein Society
Knowledge of protein-ligand interactions is beneficial for biological process analysis and drug design. Given the complexity of the interactions and the inadequacy of experimental data, accurate ligand binding residue and pocket prediction remains ch...

E-SNPs&GO: embedding of protein sequence and function improves the annotation of human pathogenic variants.

Bioinformatics (Oxford, England)
MOTIVATION: The advent of massive DNA sequencing technologies is producing a huge number of human single-nucleotide polymorphisms occurring in protein-coding regions and possibly changing their sequences. Discriminating harmful protein variations fro...

Deep learning identifies explainable reasoning paths of mechanism of action for drug repurposing from multilayer biological network.

Briefings in bioinformatics
The discovery and repurposing of drugs require a deep understanding of the mechanism of drug action (MODA). Existing computational methods mainly model MODA with the protein-protein interaction (PPI) network. However, the molecular interactions of dr...

GraphLoc: a graph neural network model for predicting protein subcellular localization from immunohistochemistry images.

Bioinformatics (Oxford, England)
MOTIVATION: Recognition of protein subcellular distribution patterns and identification of location biomarker proteins in cancer tissues are important for understanding protein functions and related diseases. Immunohistochemical (IHC) images enable v...

MGPLI: exploring multigranular representations for protein-ligand interaction prediction.

Bioinformatics (Oxford, England)
MOTIVATION: The capability to predict the potential drug binding affinity against a protein target has always been a fundamental challenge in silico drug discovery. The traditional experiments in vitro and in vivo are costly and time-consuming which ...

Structural analogue-based protein structure domain assembly assisted by deep learning.

Bioinformatics (Oxford, England)
MOTIVATION: With the breakthrough of AlphaFold2, the protein structure prediction problem has made remarkable progress through deep learning end-to-end techniques, in which correct folds could be built for nearly all single-domain proteins. However, ...