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. Author manuscript; available in PMC: 2014 Feb 25.
Published in final edited form as: J Chem Inf Model. 2013 Jan 31;53(2):452–460. doi: 10.1021/ci300506y

Figure 3.

Figure 3

RMS deviation of the Cα atoms of the protein for the simulations conducted with the substrates and inhibitor nor-NOHA. RMSD calculation excluded the flexible C terminal loop 302 to 309 of the protein as it 19 Å or more from the active site metals ions.