Dual-Branch AI Sharpens Molecular Docking Poses for Drug Discovery
Researchers have developed KTransPose, a dual-branch graph neural network framework that reduces protein-ligand pose errors by roughly 12 percent on...
Louis Brooks is a Scienmag editorial specialist profile for Medicinal Chemistry coverage.
Researchers have developed KTransPose, a dual-branch graph neural network framework that reduces protein-ligand pose errors by roughly 12 percent on...
Researchers have combined Cell Painting imaging with thermal proteome profiling through protein-protein interaction networks to accurately identify drug targets and...
Egyptian researchers used lanthanum hydroxide nanorods to synthesize a triazolopyrimidine compound that kills Trichinella spiralis larvae and adult worms at...
Researchers used an explainable machine learning model built from 216 diverse VEGFR-2 inhibitors to discover a novel naphthalene-substituted phthalazine compound...
A 58-article special issue of Molecular Diversity shows how synthetic chemistry, protein degraders, natural products, and AI-driven screening are converging...
Researchers have built a scalable transcriptomic screening platform that uses gene expression signatures and CRBN knockout cell models to systematically...
A new review charts how bile acids have evolved from simple digestive surfactants into a versatile platform for receptor agonists,...
A new zebrafish study finds that two emerging synthetic cannabinoid receptor agonists, ADB-INACA and CHO-4′Me-5′Br-FUBOXPYRA, show low toxicity, normal social...
Researchers at Hooke Bio have shown that a perfused microphysiological system called Mera can measure real-time, reversible beat-rate responses of...
Researchers at Peking University have developed SynCraft, a framework that uses large language models to predict precise atom-level edit sequences...
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© 2025 Scienmag - Science Magazine