Host Gene Study Reveals Monkeypox Mechanisms and Points to Repurposed Drugs
A new computational study maps the host genes dysregulated in MPOX and identifies five repurposable drug candidates supported by docking ...
Tag: molecular dynamics
New Web Server Predicts Amyloid Fibril Structures from Peptide Sequences
A new multiscale web server called InRegPep generates ensembles of amyloid protofilament models that matched experimental structures within 5 angstroms ...
AI Listens to Proteins: Spectral Analysis Turns Molecular Motion Into Drug Targets
Researchers at the University of Alabama in Huntsville have built an AI framework that treats protein motion like a signal, ...
Shallot-Derived Organosulfur Compounds Show Computational Promise Against H5N1 Influenza
Computational analysis identifies γ-glutamyl-S-propenylcysteine from shallots as a promising candidate inhibitor of H5N1 influenza viral proteins.
Machine Learning and Molecular Dynamics Reveal How the NMDA Receptor’s Channel Flickers Between Open and Closed
A 5.6-microsecond molecular dynamics study combined with machine learning has mapped the dynamic network of residues that control opening and ...
Magnetic 2D Material Shows Promise as Reversible Hydrogen Gas Sensor
New density functional theory calculations show that atomically thin MnBi2Te4 reversibly adsorbs hydrogen molecules while preserving its magnetism, making it ...
AI-Guided Peptide Design Targets Fibroblast Activation Protein in Rectal Cancer
A computational study identified fibroblast activation protein as the top stromal target in rectal cancer and designed a peptide inhibitor ...
AI Scans Traditional Foods to Find Genes Behind High-Altitude Sickness
A bioinformatics study combining human altitude transcriptomics, machine learning and AI-driven compound screening has identified five candidate genes and two ...
AI Language Model Redesigns Hemoglobin for Stronger Oxygen Binding
Using the ESM3 protein language model, researchers engineered a hemoglobin variant with enhanced stability, heme binding, and oxygen affinity, validated ...
Myoglobin’s Fat Cargo Decides How Firmly It Grips the Mitochondrial Surface
Molecular dynamics simulations reveal that the lipid metabolite carried by oxygenated myoglobin dictates the strength, lipid selectivity, and orientation of ...
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Mothers who receive childcare support from maternal grandparents show more parental warmth, finds NTU Singapore study
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University of Seville Breaks 120-Year-Old Mystery, Revises a Key Einstein Concept
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Bee body mass, pathogens and local climate influence heat tolerance
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Researchers record first-ever images and data of a shark experiencing a boat strike
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Groundbreaking Clinical Trial Reveals Lubiprostone Enhances Kidney Function
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