AIMC Topic: Peptides
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Mechanistic Study of Protein Interaction with Natto Inhibitory Peptides Targeting Xanthine Oxidase: Insights from Machine Learning and Molecular Dynamics Simulations.
Journal of chemical information and modeling
Mar 24, 2025
Bioactive peptides from food sources offer a safe and biocompatible approach to enzyme inhibition, with potential applications in managing metabolic disorders such as hyperuricemia and gout, conditions linked to excessive xanthine oxidase activity. U...
De novo design of self-assembling peptides with antimicrobial activity guided by deep learning.
Nature materials
Mar 14, 2025
Bioinspired materials based on self-assembling peptides are promising for tackling various challenges in biomedical engineering. While contemporary data-driven approaches have led to the discovery of self-assembling peptides with various structures a...
SWAPS: A Modular Deep-Learning Empowered Peptide Identity Propagation Framework Beyond Match-Between-Run.
Journal of proteome research
Mar 7, 2025
Mass spectrometry (MS)-based proteomics relies heavily on MS/MS (MS2) data, which do not fully exploit the available MS1 information. Traditional peptide identity propagation (PIP) methods, such as match-between-runs (MBR), are limited to similar run...
Machine learning-based exploration of Umami peptides in Pixian douban: Insights from virtual screening, molecular docking, and post-translational modifications.
Food chemistry
Mar 6, 2025
Pixian Doubanjiang (PXDB)'s distinctive umami profile is primarily attributed to its unique peptides; however, their structural characteristics, sensory mechanisms, and biosynthetic pathways during aging remain poorly understood. This study employed ...
MDTL-ACP: Anticancer Peptides Prediction Based on Multi-Domain Transfer Learning.
IEEE journal of biomedical and health informatics
Mar 6, 2025
Anticancer peptides (ACPs) have emerged as one of the most promising therapeutic agents for cancer treatment. They are bioactive peptides featuring broad-spectrum activity and low drug-resistance. The discovery of ACPs via traditional biochemical met...
StackTHP: A stacking ensemble model for accurate prediction of tumor-homing peptides in cancer therapy.
Computers in biology and medicine
Mar 5, 2025
The tumor-homing peptides (THPs) have emerged as one of the attractive resources for targeted cancer therapy, being able to bind and penetrate tumor cells selectively while ignoring adjacent healthy tissues. Therefore, the computational models to pre...
Stratified quantitative analysis of the penetration of active ingredients in the skin by infrared spectroscopic imaging.
Talanta
Mar 1, 2025
A stratified quantitative analysis method for active ingredients in the skin was developed by integrating microscopic infrared spectroscopy, chemometrics, and machine learning. Hierarchical clustering of the stratum corneum, active epidermis, and der...
OnmiMHC: a machine learning solution for UCEC tumor vaccine development through enhanced peptide-MHC binding prediction.
Frontiers in immunology
Feb 28, 2025
The key roles of Major Histocompatibility Complex (MHC) Class I and II molecules in the immune system are well established. This study aims to develop a novel machine learning framework for predicting antigen peptide presentation by MHC Class I and I...
Identification and taste presentation characteristics of umami peptides from soybean paste based on peptidomics and virtual screening.
Food chemistry
Feb 25, 2025
This research concentrated on soybean paste fermented with Tetragenococcus halophilus, employing peptidomics and machine learning methodologies to screen for novel umami peptides. Taste characteristics of umami peptides were evaluated through sensory...
DeepTree-AAPred: Binary tree-based deep learning model for anti-angiogenic peptides prediction.
Journal of molecular graphics & modelling
Feb 24, 2025
Anti-angiogenic peptides (AAPs) show important potential in tumor therapy by limiting the growth and metastasis of tumor cells. Accurate prediction of AAPs is of very positive significance for the therapeutic efficacy of tumors. The high cost of wet ...
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