Structural determinants of ligand recognition by the human mitochondrial basic amino acids transporter SLC25A29. Insight from molecular dynamics simulations.

Initial coordinates, molecular dynamics trajectories and representative snapshots resulting from the study "Structural determinants of ligand recognition by the human mitochondrial basic amino acids transporter SLC25A29. Insight from molecular dynamics simulations." by Pasquadibisceglie and Polticelli. The folders MD0-MD5 contain the parameter/topology (parm7) and initial coordinates (rst7) for the six molecular dynamics simulations. Moreover, a NetCDF trajectory "prod.nc" of the production phase is also included. The folder PDB_figures contains the PDB files used to produce the figures presented in the manuscript.