Helical sensors of membrane unsaturation

This dataset contains molecular dynamics (MD) trajectories together with all necessary configuration, topology, and parameter files for simulations of peptides L10 to L15 on both flat and curved lipid membranes, as well as peptides L12 and L16 used in free energy calculations. Data are provided for three different membrane compositions—POPC, DOPC, and PAPC—allowing systematic comparison of peptide–lipid interactions under varying levels of unsaturation and curvature. Each entry includes the simulation trajectories, coordinate files, topologies, and input parameters. It also contains unbiased simulations of single copy of L16 peptide on PAPC membrane. The trajectories have been downsampled by saving every 10th frame to comply with the storage limitations.