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The mechanism used by the ubiquitin‐conjugating enzyme, Ubc13, to catalyze ubiquitination is probed with three computational techniques: Born–Oppenheimer molecular dynamics, single point quantum mechanics/molecular mechanics energies, and classical molecular dynamics. These simulations support a long‐held hypothesis and show that Ubc13‐catalyzed ubiquitination uses a stepwise, nucleophilic attack...
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