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Tc-43/novel_myosin_modulator_designs

Novel Myosin Motor Modulators — GA-II Designed Ligand–Receptor Complexes Why this target matters. Direct myosin modulation is the first therapeutic strategy to target cardiac contractility at the motor protein itself, a mechanism validated clinically by mavacamten's approval in hypertrophic cardiomyopathy. 22 small molecules generated de novo by the Technetium TC-43.ai engine (GA-II), conditioned on the allosteric modulator site of the myosin motor domain. Each molecule was… See the full description on the dataset page: https://huggingface.co/datasets/Tc-43/novel_myosin_modulator_designs.

Author / organizationTc-43
License (as declared)cc-by-4.0
Downloads370 (as reported by Hugging Face)
Likes0
Created30 September 2025
Last updated at source16 September 2026
chemistrydrug-discoverymolecular-dockingprotein-ligand-complexmyosinmotor-proteinATPasecardiomyopathyallosteric-modulatorbiologyde-novo-designgenerative-designstructure-based-drug-designsyntheticsynthetic-dataai-generatedcomputational-chemistrycheminformaticsSMILEScardiovascularallostericcardiac-myosinMYH7mavacamten
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