Simulation data: Structural and functional implications of phase separation of membrane protein LacY in Escherichia coli

This repository contains coarse-grained molecular dynamics simulation data and analysis scripts for the paper:Dmitrii Linnik, Sumayra Sultanji, Jan A. Stevens et al. Structural and functional implications of in vivo phase separation of membrane protein in Escherichia coli, 14 May 2025, PREPRINT (Version 1) available at Research Square [https://doi.org/10.21203/rs.3.rs-6571918/v1] Contents: MD trajectories (Martini 3, GROMACS 2024.3) for four systems: LacY (control), LacY$^{\text{Pop}}$, LacY$^{\text{Pop}}$ extended configuration, and PopTag condensate Python analysis scripts for clustering dynamics and contact map analysis Pre-calculated clustering and contact frequency data Dependencies: Python 3 with matplotlib, seaborn, numpy, MDAnalysis, networkx, scipy.