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Description: Collection of simulations and free energy calculations used in the publication: Characterization of a natural variant of human NDP52 and its functional consequences on mitophagy. Di Rita A, Angelini DF, Maiorino T, Caputo V, Cascella R, Kumar M, Tiberti M, Lambrughi M, Wesch N, Löhr F, Dötsch V, Carinci M, D'Acunzo P, Chiurchiù V, Papaleo E, Rogov VV, Giardina E, Battistini L, Strappazzon F. Cell Death Differ. 2021, 28(8):2499-2516. doi: 10.1038/s41418-021-00766-3.