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When the solution thaws, the peptide doesn't return to its original conformationcopper binding sites may be irreversibly altered

Computational chemistry tools, such as molecular docking and molecular dynamics (MD) simulations, have proven invaluable for analyzing the binding modes and mechanisms of these inhibitors

doi: 10.1038/srep40883 Robinson, Samuel D., Undheim, Eivind A

While the protection of normal cells against radiation-induced cell death by ebselen has been attributed to its ability to detoxify cellular/mitochondrial ROS through the GPx mechanism, the molecular mechanism contributing to its radio-sensitization effect in cancer cells is still not fully understood

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