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A human ether-á-go-go-related (hERG) ion channel atomistic model generated by long supercomputer molecular dynamics simulations and its use in predicting drug cardiotoxicity

Biophysical ModelingEngineeringBiochemistryMedicineRational Drug DesignIon ChannelsComputational ChemistryPharmacologyDrug CardiotoxicityMolecular DynamicsBiophysics