Atomistic molecular dynamics simulations of IFITM3 inserted in a late endosomal-like membrane

GROMACS configuration, topologies files (.itp, .tpr, .top, .mdp) for reproducing atomistic molecular dynamics simulations of Cys72 palmitoylated IFITM3 inserted in:

- Late Endosomal-like membrane (system name: EM)

- POPC-CHOL (100:0) membrane (system name: POPC-CHOL_0)

- POPC-CHOL (90:10) membrane (system name: POPC-CHOL_10)

- POPC-CHOL (80:20) membrane (system name: POPC-CHOL_20)

- POPC-CHOL (70:30) membrane (system name: POPC-CHOL_30)

- POPC-CHOL-LPC (85:10:5) membrane (system name: POPC-CHOL-LPC)

- POPC-DOPE-LPC (85:10:5) membrane (POPC-DOPE-LPC)

Full details of simulations are available in the related manuscript, where they are also carefully analyzed.