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Peptides

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xDeep-AcPEP: Deep Learning Method for Anticancer Peptide Activity Prediction Based on Convolutional Neural Network and Multitask Learning.

Journal of chemical information and modeling
Cancer is one of the leading causes of death worldwide. Conventional cancer treatment relies on radiotherapy and chemotherapy, but both methods bring severe side effects to patients, as these therapies not only attack cancer cells but also damage nor...

Protein-Peptide Binding Site Detection Using 3D Convolutional Neural Networks.

Journal of chemical information and modeling
Peptides and peptide-based molecules represent a promising therapeutic modality targeting intracellular protein-protein interactions, potentially combining the beneficial properties of biologics and small-molecule drugs. Protein-peptide complexes occ...

Deep learning for peptide identification from metaproteomics datasets.

Journal of proteomics
Metaproteomics is becoming widely used in microbiome research for gaining insights into the functional state of the microbial community. Current metaproteomics studies are generally based on high-throughput tandem mass spectrometry (MS/MS) coupled wi...

Identification of subtypes of anticancer peptides based on sequential features and physicochemical properties.

Scientific reports
Anticancer peptides (ACPs) are a kind of bioactive peptides which could be used as a novel type of anticancer drug that has several advantages over chemistry-based drug, including high specificity, strong tumor penetration capacity, and low toxicity ...

Investigation and Highly Accurate Prediction of Missed Tryptic Cleavages by Deep Learning.

Journal of proteome research
Trypsin is one of the most important and widely used proteolytic enzymes in mass spectrometry (MS)-based proteomic research. It exclusively cleaves peptide bonds at the C-terminus of lysine and arginine. However, the cleavage is also affected by seve...

Deep learning boosts sensitivity of mass spectrometry-based immunopeptidomics.

Nature communications
Characterizing the human leukocyte antigen (HLA) bound ligandome by mass spectrometry (MS) holds great promise for developing vaccines and drugs for immune-oncology. Still, the identification of non-tryptic peptides presents substantial computational...

Alignment-Free Antimicrobial Peptide Predictors: Improving Performance by a Thorough Analysis of the Largest Available Data Set.

Journal of chemical information and modeling
In the last two decades, a large number of machine-learning-based predictors for the activities of antimicrobial peptides (AMPs) have been proposed. These predictors differ from one another in the learning method and in the training and testing data ...

Retention time prediction using neural networks increases identifications in crosslinking mass spectrometry.

Nature communications
Crosslinking mass spectrometry has developed into a robust technique that is increasingly used to investigate the interactomes of organelles and cells. However, the incomplete and noisy information in the mass spectra of crosslinked peptides limits t...

Prediction of Anticancer Peptides with High Efficacy and Low Toxicity by Hybrid Model Based on 3D Structure of Peptides.

International journal of molecular sciences
Recently, anticancer peptides (ACPs) have emerged as unique and promising therapeutic agents for cancer treatment compared with antibody and small molecule drugs. In addition to experimental methods of ACPs discovery, it is also necessary to develop ...

Deep learning neural network tools for proteomics.

Cell reports methods
Mass-spectrometry-based proteomics enables quantitative analysis of thousands of human proteins. However, experimental and computational challenges restrict progress in the field. This review summarizes the recent flurry of machine-learning strategie...