AIMC Topic: Proteins

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Scoring protein sequence alignments using deep learning.

Bioinformatics (Oxford, England)
MOTIVATION: A high-quality sequence alignment (SA) is the most important input feature for accurate protein structure prediction. For a protein sequence, there are many methods to generate a SA. However, when given a choice of more than one SA for a ...

Deep learning tools are top performers in long non-coding RNA prediction.

Briefings in functional genomics
The increasing amount of transcriptomic data has brought to light vast numbers of potential novel RNA transcripts. Accurately distinguishing novel long non-coding RNAs (lncRNAs) from protein-coding messenger RNAs (mRNAs) has challenged bioinformatic ...

Relational graph convolutional networks for predicting blood-brain barrier penetration of drug molecules.

Bioinformatics (Oxford, England)
MOTIVATION: Evaluating the blood-brain barrier (BBB) permeability of drug molecules is a critical step in brain drug development. Traditional methods for the evaluation require complicated in vitro or in vivo testing. Alternatively, in silico predict...

An analysis of protein language model embeddings for fold prediction.

Briefings in bioinformatics
The identification of the protein fold class is a challenging problem in structural biology. Recent computational methods for fold prediction leverage deep learning techniques to extract protein fold-representative embeddings mainly using evolutionar...

A tool for feature extraction from biological sequences.

Briefings in bioinformatics
With the advances in sequencing technologies, a huge amount of biological data is extracted nowadays. Analyzing this amount of data is beyond the ability of human beings, creating a splendid opportunity for machine learning methods to grow. The metho...

Protein design via deep learning.

Briefings in bioinformatics
Proteins with desired functions and properties are important in fields like nanotechnology and biomedicine. De novo protein design enables the production of previously unseen proteins from the ground up and is believed as a key point for handling rea...

An inductive graph neural network model for compound-protein interaction prediction based on a homogeneous graph.

Briefings in bioinformatics
Identifying the potential compound-protein interactions (CPIs) plays an essential role in drug development. The computational approaches for CPI prediction can reduce time and costs of experimental methods and have benefited from the continuously imp...

SPLDExtraTrees: robust machine learning approach for predicting kinase inhibitor resistance.

Briefings in bioinformatics
Drug resistance is a major threat to the global health and a significant concern throughout the clinical treatment of diseases and drug development. The mutation in proteins that is related to drug binding is a common cause for adaptive drug resistan...

AggMapNet: enhanced and explainable low-sample omics deep learning with feature-aggregated multi-channel networks.

Nucleic acids research
Omics-based biomedical learning frequently relies on data of high-dimensions (up to thousands) and low-sample sizes (dozens to hundreds), which challenges efficient deep learning (DL) algorithms, particularly for low-sample omics investigations. Here...

Integration of machine learning with computational structural biology of plants.

The Biochemical journal
Computational structural biology of proteins has developed rapidly in recent decades with the development of new computational tools and the advancement of computing hardware. However, while these techniques have widely been used to make advancements...