Molecular basis of collagen galactosylation by GLT25D1

MD simulations used in the studies of “Molecular basis of collagen galactosylation by GLT25D1”. The details of the simulations are provided in the Methods section and Supplementary Table 3 of the manuscript. This repository contains an archive entitled “GLT25D1_ MD simulations_analysis”, which includes two folders: APO and NGT with ligand, corresponding to two stimulated states of GLT25D1. For each system, the final configuration files correspond to independent replicates. APO : contains the initial configuration file (APO_initial) and the final configuration files (APO_ final-1, APO_ final-2, APO_ final-3, APO_ final-4). NGT with ligand : contains the initial configuration file (NGT with ligand_ initial) and the final configuration files (NGT with ligand_ final-1, NGT with ligand_ final-2, NGT with ligand_ final-3, NGT with ligand_ final-4).