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In heme proteins, the efficient transport of ligands such as NO or O 2 to the binding site is achieved via ligand migration networks. A quantitative assessment of ligand diffusion in these networks is thus essential for a better understanding of the function of these proteins. For this, Xe migration in truncated hemoglobin N (trHbN) of Mycobacterium Tuberculosis was studied using molecular dynamics simulations. Transitions between pockets of the migration network and intra-pocket relaxationdoi:10.1371/journal.pcbi.1005450 pmid:28358830 pmcid:PMC5391117 fatcat:o72xduczrzcftm33utf43a3tni