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. Author manuscript; available in PMC: 2013 Jun 14.
Published in final edited form as: J Phys Chem B. 2012 Apr 23;116(23):6952–6959. doi: 10.1021/jp3003992

Figure 3.

Figure 3

Active site shapes for the androgen receptor from crystal structures, MD and REMD. The four crystal structure cluster representatives of AR are given in panels a–d: The four cluster representatives from MD are given in structures e–h, while the four cluster representatives from REMD are given in i–l. Helix 3 of AR, which runs roughly vertically in front of the LBS, has been removed from view for clarity.