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Intracellular production of OH from H 2 O 2 is driven by the Fenton reaction, shown in Reaction 3 ( As the most reactive known ROS, OH reacts with nearly all intracellular building blocks and macromolecules (amino acids, nucleic acids, phospholipids, sugars, proteins, RNA, DNA, lipids, polysaccharides)

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After a steepest descent minimization (5,000 steps), the systems were equilibrated in several steps ((1) 500-ps simulation with constant number of particles, volume and temperature, and with a time step of t = 0.5 fs