Input files for atomistic and coarse-grained MD simulations, membrane binding interface results from coarse-grained simulations, and apo-like and holo-like conformations of lipid transfer domains arising from clustering of atomistic simulations in the manuscript titled "Conformational dynamics of lipid transfer domains provide a general framework to decode their functional mechanism." Erratum- the README in results > extreme_structures > README should say "extremeleft.pdb is therefore "holo-like" while extremeright.pdb is "apo-like" .