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Peptides

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ESM-BBB-Pred: a fine-tuned ESM 2.0 and deep neural networks for the identification of blood-brain barrier peptides.

Briefings in bioinformatics
Blood-brain barrier peptides (BBBP) could significantly improve the delivery of drugs to the brain, paving the way for new treatments for central nervous system (CNS) disorders. The primary challenge in treating CNS disorders lies in the difficulty p...

Artificial-Intelligence Bio-Inspired Peptide for Salivary Detection of SARS-CoV-2 in Electrochemical Biosensor Integrated with Machine Learning Algorithms.

Biosensors
Developing affordable, rapid, and accurate biosensors is essential for SARS-CoV-2 surveillance and early detection. We created a bio-inspired peptide, using the SAGAPEP AI platform, for COVID-19 salivary diagnostics via a portable electrochemical dev...

Machine learning discovery of novel antihypertensive peptides from highland barley protein inhibiting angiotensin I-converting enzyme (ACE).

Food research international (Ottawa, Ont.)
Hypertension is a major global health concern, and there is a need for new antihypertensive agents derived from natural sources. This study aims to identify novel angiotensin I-converting enzyme (ACE) inhibitors from bioactive peptides derived from f...

Intelligent decoding platform for peptide sequences: SERS detection via high affinity self-assembled silver nanoparticles and machine learning analysis.

Analytica chimica acta
BACKGROUND: Peptides are compounds formed by the dehydration-condensation reaction of two or more amino acids which play an important role in the life functions of the organism. Changes in the structure of amino acids and peptides are vital for eluci...

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...

Advances of deep Neural Networks (DNNs) in the development of peptide drugs.

Future medicinal chemistry
Peptides are able to bind to difficult disease targets with high potency and specificity, providing great opportunities to meet unmet medical requirements. Nevertheless, the unique features of peptides, such as their small size, high structural flexi...

Deep Learning Combined with Quantitative Structure‒Activity Relationship Accelerates De Novo Design of Antifungal Peptides.

Advanced science (Weinheim, Baden-Wurttemberg, Germany)
Novel antifungal drugs that evade resistance are urgently needed for Candida infections. Antifungal peptides (AFPs) are potential candidates due to their specific mechanism of action, which makes them less prone to developing drug resistance. An AFP ...