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Clusters from MD simulations of Acyl-AcpP with chain lengths from holo-AcpP to C18-AcpP. 

Each folder contains 5 replicates of 500 ns. Each replicate clustered into 5 conformations (rep 0 is most occupied cluster)
 
If using these structures in your research, please cite:

Sztain, T., Bartholow, T.G., Lee, D.J., Casalino, L., Mitchell, A., Young, M., Wang, J., McCammon
J.A., Burkart, M.D. Decoding allosteric regulation by the acyl carrier protein. PNAS. (2021).