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JAMA 299, 914-24 (2008)

Phase II drug metabolism, in Topics on drug metabolism (InTech)

They used a toxic compound called menadione to stress the cells, and in the face of that stress the younger cells lost significantly less of their glutathione than older cells did

Abbasi B, Molavi N, Tavalaee M, Abbasi H, Nasr-Esfahani MH

NeuroImage 152, 509516

Therefore, MD simulation is usually only good for digging deep into a few top candidate molecules rather than large-scale screening
