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Bioinformatics (Oxford, England)
Apr 12, 2022
MOTIVATION: The interactions between proteins and other molecules are essential to many biological and cellular processes. Experimental identification of interface residues is a time-consuming, costly and challenging task, while protein sequence data...
Bioinformatics (Oxford, England)
Apr 12, 2022
SUMMARY: Self-supervised deep language modeling has shown unprecedented success across natural language tasks, and has recently been repurposed to biological sequences. However, existing models and pretraining methods are designed and optimized for t...
Bioinformatics (Oxford, England)
Mar 28, 2022
MOTIVATION: Cryo-electron microscopy (cryo-EM) is a widely used technology for ultrastructure determination, which constructs the 3D structures of protein and macromolecular complex from a set of 2D micrographs. However, limited by the electron beam ...
Bioinformatics (Oxford, England)
Mar 28, 2022
MOTIVATION: Deep learning has revolutionized protein tertiary structure prediction recently. The cutting-edge deep learning methods such as AlphaFold can predict high-accuracy tertiary structures for most individual protein chains. However, the accur...
Bioinformatics (Oxford, England)
Mar 28, 2022
MOTIVATION: Protein model quality assessment is a key component of protein structure prediction. In recent research, the voxelization feature was used to characterize the local structural information of residues, but it may be insufficient for descri...
Bioinformatics (Oxford, England)
Mar 28, 2022
MOTIVATION: Accurately predicting protein secondary structure and relative solvent accessibility is important for the study of protein evolution, structure and an early-stage component of typical protein 3D structure prediction pipelines.
Bioinformatics (Oxford, England)
Mar 28, 2022
MOTIVATION: The crux of molecular property prediction is to generate meaningful representations of the molecules. One promising route is to exploit the molecular graph structure through graph neural networks (GNNs). Both atoms and bonds significantly...
Bioinformatics (Oxford, England)
Mar 28, 2022
MOTIVATION: The identification of compound-protein interactions (CPIs) is an essential step in the process of drug discovery. The experimental determination of CPIs is known for a large amount of funds and time it consumes. Computational model has th...
Bioinformatics (Oxford, England)
Mar 28, 2022
MOTIVATION: Mass spectrometry imaging (MSI) provides rich biochemical information in a label-free manner and therefore holds promise to substantially impact current practice in disease diagnosis. However, the complex nature of MSI data poses computat...
Bioinformatics (Oxford, England)
Mar 4, 2022
MOTIVATION: Recently, peptides have emerged as a promising class of pharmaceuticals for various diseases treatment poised between traditional small molecule drugs and therapeutic proteins. However, one of the key bottlenecks preventing them from ther...