Virtual Screening Yields a Potent New MAPKAPK2 Inhibitor Against Pancreatic Cancer
Researchers used structure-based virtual screening of roughly 280,000 compounds to discover compound 77501, a novel and selective MAPKAPK2 inhibitor that ...
Tag: structure-based drug design
AI-Enhanced Adaptive Virtual Screening Accelerates Ligand Discovery in Huge Compound Libraries
An adaptive artificial intelligence framework slashes the computational cost of screening billion-molecule chemical libraries while experimentally confirming high-quality ligand hits ...
Insilico Nominates AI-Designed ISM9077, Potential First-in-Class Y Inhibitor, as Preclinical Candidate
Insilico Medicine has nominated ISM9077, an artificial intelligence-designed inhibitor of an undisclosed “Target Y,” as a preclinical candidate for dry ...
AI-designed first-in-class small-molecule inhibitor shows preclinical promise against pancreatic cancer
Jacksonville, Fla. — Mayo Clinic researchers have used artificial intelligence to identify an experimental small-molecule drug that targets a protein ...
Ancient Tubulin Network Controls Paclitaxel Effectiveness
In a groundbreaking study published in Nature Chemical Biology, researchers have unveiled the molecular mechanisms by which tubulin variants and ...
Vanderbilt Researcher Overcomes Major Challenge in AI-Driven Drug Discovery
In the relentless quest to accelerate drug discovery and reduce astronomical costs, researchers are increasingly turning to machine learning to ...
Insilico Medicine’s Chemistry42 Drives Discovery of Novel Chemotype Pan-KRAS Inhibitors – ACS Medicinal Chemistry Letters
In a significant breakthrough that harnesses the cutting-edge capabilities of artificial intelligence (AI) in drug discovery, Insilico Medicine, a leading ...
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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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