Data and Simulation Files for: "High-Throughput Characterization of Transmembrane Helix Partitioning in Membrane Domains"

This repository contains the data, simulation files, and scripts used in the study “High-Throughput Characterization of Transmembrane Helix Partitioning in Membrane Domains.” The repository includes: Scripts used to extract FASTA sequences from the Orientations of Proteins in Membranes database (OPM). Scripts and input files used to generate peptide systems and prepare the molecular dynamics simulations. Simulation parameter files, topology files, coordinate files required to reproduce the simulations. Final structure files (md.gro) for each simulation system. The deposited material is intended to ensure transparency, reproducibility, and reuse of the computational workflow and simulation datasets associated with this work.