Joseph Clayton

The paper investigates the slow dissociation of nitazenes from the μ-opioid receptor, showing it contributes to overdose reversal challenges and provides structural insights into the mechanism.

This study investigates how membrane permeability affects the potency of fentanyl and isotonitazene, finding that fentanyl's extreme potency may be due to its ability to accumulate in membranes and repartition to bind receptors.

This paper uses computational methods to model how nitazene derivatives bind to the mu-opioid receptor, identifying key binding modes and interactions.

This study investigates why the Omicron variant's main protease is less stable than the wild-type by analyzing its structure, enzymatic activity, and biophysical properties.

The paper develops ML models to predict covalent ligandable cysteines using a curated database, achieving high accuracy and providing a web tool for drug discovery.

This study uses molecular dynamics simulations to uncover the mechanism of dimer selectivity and binding cooperativity of BRAF inhibitors, revealing structural changes and hydrogen bonding that influence inhibitor binding preferences.