
This folder contains initial/final configurations (PDB files) for GROMACS coarse-grained simulations of CLC-ec1 monomers and dimers in mixtures of 2:1 DLPE:DLPG and 2:1 POPE:POPG, alongside the corresponding parameter files (MDP/TPR format).

Please cite: 

Membrane transporter dimerization driven by differential lipid solvation energetics of dissociated and associated states
R. Chadda, N. Bernhardt, E.G. Kelley, S. Marujo-Teixeira, K. Struve, A. Gil-Ley, T.N. Öztürk, L.E. Hughes, A. Castro, V. Krishnamani, J.D. Faraldo-Gómez# and J.L. Robertson#
Submitted, 2021.

#For correspondence contact: janice.robertson@wustl.edu or jose.faraldo@nih.gov
 
