AIMC Topic: Peptide Mapping

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Enhanced authentication of organic milk using MALDI-TOF MS with combined lipid-peptide fingerprinting and machine learning integration.

Food chemistry
This study introduces a method for authenticating organic milk and determining its geographic region using matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF MS). Both lipids and peptides were analyzed, and their ...

AmorProt: Amino Acid Molecular Fingerprints Repurposing-Based Protein Fingerprint.

Biochemistry
As protein therapeutics play an important role in almost all medical fields, numerous studies have been conducted on proteins using artificial intelligence. Artificial intelligence has enabled data-driven predictions without the need for expensive ex...

DeepLC can predict retention times for peptides that carry as-yet unseen modifications.

Nature methods
The inclusion of peptide retention time prediction promises to remove peptide identification ambiguity in complex liquid chromatography-mass spectrometry identification workflows. However, due to the way peptides are encoded in current prediction mod...

Coupling of Trastuzumab chromatographic profiling with machine learning tools: A complementary approach for biosimilarity and stability assessment.

Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
Biosimilar products present a growing opportunity to improve the global healthcare systems. The amount of accepted variability during the comparative assessments of biosimilar products introduces a significant challenge for both the biosimilar develo...

PeptiDesCalculator: Software for computation of peptide descriptors. Definition, implementation and case studies for 9 bioactivity endpoints.

Proteins
We present a novel Java-based program denominated PeptiDesCalculator for computing peptide descriptors. These descriptors include: redefinitions of known protein parameters to suite the peptide domain, generalization schemes for the global descriptio...

Prediction of hERG potassium channel blockage using ensemble learning methods and molecular fingerprints.

Toxicology letters
The human ether-a-go-go-related gene (hERG) encodes a tetrameric potassium channel called Kv11.1. This channel can be blocked by certain drugs, which leads to long QT syndrome, causing cardiotoxicity. This is a significant problem during drug develop...

Stability of infliximab solutions in different temperature and dilution conditions.

Journal of pharmaceutical and biomedical analysis
Infliximab is a monoclonal antibody widely used for the treatment of inflammatory diseases. Over the past few years, many studies have assessed that monoclonal antibodies are prone to aggregation under stress conditions. The aim of this study was to ...