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. Author manuscript; available in PMC: 2019 Aug 20.
Published in final edited form as: J Chem Inf Model. 2018 Apr 11;58(4):816–825. doi: 10.1021/acs.jcim.7b00717

Figure 6.

Figure 6.

PCA analysis of apo-MD-2 (a), lipid A-MD-2 (b), 4-MD-2 (c), 5-MD-2 (d). Ten X-ray crystallographic MD-2 structures are colored red whilst the distribution of MD conformers is depicted with cyan points.