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Signal Transduction

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Evaluating the predictive accuracy of curated biological pathways in a public knowledgebase.

Database : the journal of biological databases and curation
ABSTRACT: Reactome is a database of human biological pathways manually curated from the primary literature and peer-reviewed by experts. To evaluate the utility of Reactome pathways for predicting functional consequences of genetic perturbations, we ...

The reactome pathway knowledgebase 2022.

Nucleic acids research
The Reactome Knowledgebase (https://reactome.org), an Elixir core resource, provides manually curated molecular details across a broad range of physiological and pathological biological processes in humans, including both hereditary and acquired dise...

Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins.

Proceedings of the National Academy of Sciences of the United States of America
RAS is a signaling protein associated with the cell membrane that is mutated in up to 30% of human cancers. RAS signaling has been proposed to be regulated by dynamic heterogeneity of the cell membrane. Investigating such a mechanism requires near-at...

Predicting Residence Time of GPCR Ligands with Machine Learning.

Methods in molecular biology (Clifton, N.J.)
Drug-target residence time, the duration of binding at a given protein target, has been shown in some protein families to be more significant for conferring efficacy than binding affinity. To carry out efficient optimization of residence time in drug...

Detection of subtype-specific breast cancer surface protein biomarkers via a novel transcriptomics approach.

Bioscience reports
BACKGROUND: Cell-surface proteins have been widely used as diagnostic and prognostic markers in cancer research and as targets for the development of anticancer agents. So far, very few attempts have been made to characterize the surfaceome of patien...

XOmiVAE: an interpretable deep learning model for cancer classification using high-dimensional omics data.

Briefings in bioinformatics
The lack of explainability is one of the most prominent disadvantages of deep learning applications in omics. This 'black box' problem can undermine the credibility and limit the practical implementation of biomedical deep learning models. Here we pr...

Identification of pan-cancer Ras pathway activation with deep learning.

Briefings in bioinformatics
The identification of hidden responders is often an essential challenge in precision oncology. A recent attempt based on machine learning has been proposed for classifying aberrant pathway activity from multiomic cancer data. However, we note several...

[Consensus ensemble neural network multitarget model of RAGE inhibitory activity of chemical compounds].

Biomeditsinskaia khimiia
RAGE signal transduction via the RAGE-NF-κB signaling pathway is one of the mechanisms of inflammatory reactions that cause severe complications in diabetes mellitus. RAGE inhibitors are promising pharmacological compounds that require the developmen...