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Updated: Jun 19, 2026

Synthesizing Amino Acids Modified with Reactive Carbonyls in Silico to Assess Structural Effects Using Molecular Dynamics Simulations
Published on: April 26, 2024
Etienne Maisonneuve1, Adrien Ducret, Pierre Khoueiry
1Laboratoire de Chimie Bactérienne - Aix Marseille Université - UPR 9043-CNRS, 31, Chemin Joseph Aiguier, Marseille, France.
Researchers developed a predictive model to identify proteins prone to metal-catalyzed oxidation (MCO). This model accurately predicts carbonylated sites and proteins, aiding in understanding protein carbonylation across organisms.
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