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Proteomics

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Sweat Proteomics in Cystic Fibrosis: Discovering Companion Biomarkers for Precision Medicine and Therapeutic Development.

Cells
In clinical routine, the diagnosis of cystic fibrosis (CF) is still challenging regardless of international consensus on diagnosis guidelines and tests. For decades, the classical Gibson and Cooke test measuring sweat chloride concentration has been ...

Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system.

Molecular diversity
CNS disorders are indications with a very high unmet medical needs, relatively smaller number of available drugs, and a subpar satisfaction level among patients and caregiver. Discovery of CNS drugs is extremely expensive affair with its own unique c...

Can Omics Biology Go Subjective because of Artificial Intelligence? A Comment on "Challenges and Opportunities for Bayesian Statistics in Proteomics" by Crook et al.

Journal of proteome research
In their recent review ( 2022, 21 (4), 849-864), Crook et al. diligently discuss the basics (and less basics) of Bayesian modeling, survey its various applications to proteomics, and highlight its potential for the improvement of computational prote...

AI-based structure prediction empowers integrative structural analysis of human nuclear pores.

Science (New York, N.Y.)
INTRODUCTION The eukaryotic nucleus pro-tects the genome and is enclosed by the two membranes of the nuclear envelope. Nuclear pore complexes (NPCs) perforate the nuclear envelope to facilitate nucleocytoplasmic transport. With a molecular weight of ...

Accurate Prediction of y Ions in Beam-Type Collision-Induced Dissociation Using Deep Learning.

Analytical chemistry
Peptide fragmentation spectra contain critical information for the identification of peptides by mass spectrometry. In this study, we developed an algorithm that more accurately predicts the high-intensity peaks among the peptide spectra. The trainin...

Prosit-TMT: Deep Learning Boosts Identification of TMT-Labeled Peptides.

Analytical chemistry
The prediction of fragment ion intensities and retention time of peptides has gained significant attention over the past few years. However, the progress shown in the accurate prediction of such properties focused primarily on unlabeled peptides. Tan...

Identifying Protein Features and Pathways Responsible for Toxicity Using Machine Learning and Tox21: Implications for Predictive Toxicology.

Molecules (Basel, Switzerland)
Humans are exposed to numerous compounds daily, some of which have adverse effects on health. Computational approaches for modeling toxicological data in conjunction with machine learning algorithms have gained popularity over the last few years. Mac...

Prosit Transformer: A transformer for Prediction of MS2 Spectrum Intensities.

Journal of proteome research
Machine learning has been an integral part of interpreting data from mass spectrometry (MS)-based proteomics for a long time. Relatively recently, a machine-learning structure appeared successful in other areas of bioinformatics, Transformers. Furthe...

Statistical and machine learning methods to study human CD4 T cell proteome profiles.

Immunology letters
Mass spectrometry proteomics has become an important part of modern immunology, making major contributions to understanding protein expression levels, subcellular localizations, posttranslational modifications, and interactions in various immune cell...

Engineered nanoparticles enable deep proteomics studies at scale by leveraging tunable nano-bio interactions.

Proceedings of the National Academy of Sciences of the United States of America
SignificanceDeep profiling of the plasma proteome at scale has been a challenge for traditional approaches. We achieve superior performance across the dimensions of precision, depth, and throughput using a panel of surface-functionalized superparamag...