Molecular mechanism of GTP binding- and dimerization-induced enhancement of Sar1-mediated membrane remodeling

Here, we provide atomistic molecular dynamics (CHARMM36m force field and GROMACS software) simulation trajectories in .xtc and .dcd format. Analysis scripts folder contains scripts (based on MATLAB, VMD TCL and shell) necessary for the CVCF analysis (protein in absence of membrane), estimation of the protein volume inclusion inside the membrane (protein with full lipid) and curvature analysis (membrane ribbon simulation). The data accompanies the publication "Molecular mechanism of GTP binding- and dimerization-induced enhancement of Sar1-mediated membrane remodeling " by Sanjoy Paul, Anjon Audhya, and Qiang Cui.