AIMC Topic: Peptides

Clear Filters Showing 91 to 100 of 567 articles

Machine learning-based exploration of Umami peptides in Pixian douban: Insights from virtual screening, molecular docking, and post-translational modifications.

Food chemistry
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
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
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
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
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
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
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 ...

Peptide classification landscape: An in-depth systematic literature review on peptide types, databases, datasets, predictors architectures and performance.

Computers in biology and medicine
Peptides are gaining significant attention in diverse fields such as the pharmaceutical market has seen a steady rise in peptide-based therapeutics over the past six decades. Peptides have been utilized in the development of distinct applications inc...

Deep Learning Protocol for Predicting Full-Spectrum Infrared and Raman Spectra of Polypeptides and Proteins Using All-Atom Models.

The journal of physical chemistry letters
Infrared (IR) spectroscopy and Raman spectroscopy are powerful tools for probing protein and peptide structures due to their capability to provide molecular fingerprints. As a popular spectral simulation method, the quantum chemistry (QC) calculation...

Dynamic Electronic Structure Fluctuations in the De Novo Peptide ACC-Dimer Revealed by First-Principles Theory and Machine Learning.

Journal of chemical information and modeling
Recent studies have reported long-range charge transport in peptide- and protein-based fibers and wires, rendering this class of materials as promising charge-conducting interfaces between biological systems and electronic devices. In the complex mol...