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Data described in the article "Nutraceuticals silybin B, resveratrol, and epigallocatechin-3 gallate-bind to cardiac muscle troponin to restore the loss of lusitropy caused by cardiomyopathy mutations in vitro, in vivo, and in silico."

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https://zenodo.org/record/14445143
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Single [Ca2+] screen for recoupling Many compounds re-couple many mutations. Effects of dobutamine on cardiac myocyte contractility. Lusitropy and the effect of small molecules measured in cardiomyocytes Preferred structure of small molecules with atoms and rings labelled. Comparison of the effects of EGCG and ECG on the distribution of helix A/B and interdomain angles. CCPtraj analysis of ligand binding, ligand hotspots on representative structures, link to movies snapshots from single 1500ns MD trajectories, 7500 total fram
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2024-12-17
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