Modelling the NPC1-NPC2 protein-protein interaction using Alphafold Multimer and Molecular dynamics simulations

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Proyecto asignado a través de la Red Española de Supercomputación (RES).

Niemann-Pick disease type C is a rare genetic disorder in which cholesterol transport across the body is compromised. Its cause are mutations on the lysosomal NPC1 and NPC2 proteins. The aim of this project is to validate a structural model of the protein-protein interaction of NPC1 and NPC2 proteins using AlphaFold Multimer and state-of-the-art molecular modelling methods.