Andrew Hale

A Multi-Scale Computational Analysis of Bucillamine Neuroprotection Against Soman Toxicity

This computational framework evaluates the neuroprotective mechanism of the dithiol antioxidant Bucillamine (and its active metabolite SA981) against Soman-induced oxidative damage. By integrating quantum chemical calculations, classical molecular dynamics, and systems-level ordi...

A Multi-Scale Computational Analysis of Bucillamine Neuroprotection Against Soman Toxicity

This computational framework evaluates the neuroprotective mechanism of the dithiol antioxidant Bucillamine (and its active metabolite SA981) against Soman-induced oxidative damage. By integrating quantum chemical calculations, classical molecular dynamics, and systems-level ordi...