Investigating the Molecular Mechanisms of Proarrhythmic hERG Channel Blockade Using Molecular Dynamics Simulations

Colleen E Clancy, University of California, Davis

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Cardiotoxicity in the form of deadly abnormal rhythms is one of the most common and dangerous risks for drugs in development.
There is an urgent need for new approaches to screen and predict the effects of drugs on cardiac rhythms. Our team proposes a new computer based model framework to predict drug effects from the level of the receptor interaction to the cardiac rhythm.