AIMC Topic: Peptides
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ABP-Xplorer: A Machine Learning Approach for Prediction of Antibacterial Peptides Targeting -tRNA-Methyltransferase (TrmD).
Journal of chemical information and modeling
Jun 9, 2025
(MAB) infections pose a significant treatment challenge due to their intrinsic resistance to antibiotics, requiring prolonged multidrug regimens with limited success and frequent relapses. tRNA (m1G37) methyltransferase (TrmD), an enzyme essential f...
To Fly, or Not to Fly, That Is the Question: A Deep Learning Model for Peptide Detectability Prediction in Mass Spectrometry.
Journal of proteome research
Jun 6, 2025
Identifying detectable peptides, known as flyers, is key in mass spectrometry-based proteomics. Peptide detectability is strongly related to peptide sequences and their resulting physicochemical properties. Moreover, the high variability in MS data c...
A hybrid protocol for peptide development: integrating deep generative models and physics simulations for biomolecular design targeting IL23R/IL23.
International journal of biological macromolecules
Jun 1, 2025
Recent advances in machine learning have revolutionized molecular design; however, a gap remains in integrating generative models with physics-based simulations to develop functional modulators, such as stable peptides, for challenging targets like t...
GRU4ACE: Enhancing ACE inhibitory peptide prediction by integrating gated recurrent unit with multi-source feature embeddings.
Protein science : a publication of the Protein Society
Jun 1, 2025
Accurate identification of angiotensin-I-converting enzyme (ACE) inhibitory peptides is essential for understanding the primary factor regulating the renin-angiotensin system and guiding the development of new drug candidates. Given the inherent chal...
AI-Assisted Protein-Peptide Complex Prediction in a Practical Setting.
Journal of computational chemistry
May 30, 2025
Accurate prediction of protein-peptide complex structures plays a critical role in structure-based drug design, including antibody design. Most peptide-docking benchmark studies were conducted using crystal structures of protein-peptide complexes; as...
Biomolecular Actuators for Soft Robots.
Chemical reviews
May 28, 2025
Biomolecules present promising stimuli-responsive mechanisms to revolutionize soft actuators. Proteins, peptides, and nucleic acids foster specific intermolecular interactions, and their boundless sequence design spaces encode precise actuation capab...
Artificial Intelligence-Guided Cancer Engineering for Tumor Normalization Executed by Tumor Lysosomal-Triggered Supramolecular Chiral Peptide.
ACS nano
May 13, 2025
Cancer engineering for tumor normalization offers a promising therapeutic strategy to reverse malignant cells and their supportive tumor microenvironment into a more benign state. Herein, an artificial intelligence (AI) approach was developed using m...
Lead Informed Artificial Intelligence Mining of Antitubercular Host Defense Peptides.
Biomacromolecules
May 12, 2025
Identifying host defense peptides (HDPs) that are effective against drug-resistant infections is challenging due to their vast sequence space. Artificial intelligence (AI)-guided design can accelerate HDP discovery, but it traditionally requires larg...
Blood-brain barrier crossing biopolymer targeting c-Myc and anti-PD-1 activate primary brain lymphoma immunity: Artificial intelligence analysis.
Journal of controlled release : official journal of the Controlled Release Society
May 10, 2025
Primary Central Nervous System Lymphoma is an aggressive central nervous system neoplasm with poor response to pharmacological treatment, partially due to insufficient drug delivery across blood-brain barrier. In this study, we developed a novel ther...
ESMpHLA: Evolutionary Scale Model-Based Deep Learning Prediction of HLA Class I Binding Peptides.
HLA
May 1, 2025
The recognition of endogenous peptides by HLA class I plays a crucial role in CD8+ T cell immune responses and human adaptive cell immune. Thus, the prediction of HLA class I-peptide binding affinities is always the core issue for the research of imm...
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