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. Author manuscript; available in PMC: 2014 Apr 10.
Published in final edited form as: J Chem Theory Comput. 2012 Sep 5;8(11):4746–4757. doi: 10.1021/ct3005563

Fig. 8.

Fig. 8

The experimental structure of gramicidin D (PDB code: 1AL4). (A) The backbone with all atoms shown to indicate the hydrogen-bonding contacts, (B) The Cα trace with residues colored from blue to red from the N-terminus to the C-terminus for each chain. (C) The cartoon representation of structure obtained from MREMD simulation at 250K colored from blue to red from the N-terminus to the C-terminus for each chain.