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. 2010 Mar 9;5(3):e9392. doi: 10.1371/journal.pone.0009392

Figure 4. Restraints used for 17Inline graphic-estradiol.

Figure 4

We used six harmonic restraints acting on three anchor atoms in the E2 and three in the receptor. The restraints consisted of one distance (Inline graphic), two angle (Inline graphic and Inline graphic), and three dihedral (Inline graphic, Inline graphic, and Inline graphic) restraints that determine the orientation of three carbons in the E2 relative to three Inline graphic-carbons in the receptors.