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. Author manuscript; available in PMC: 2015 Feb 1.
Published in final edited form as: Drug Dev Res. 2013 Dec 26;75(1):10–22. doi: 10.1002/ddr.21162

Fig. 7.

Fig. 7

Molecular dynamics-based screening predicts that the number and position of double bonds in the side chain of the tocotrienols is critical for strong binding to ATTP. The figure shows the distribution of conformations around torsion angles A and B for 100,000 conformations of each molecule. The analysis suggests that tocols lacking an unsaturation in position 7 are capable of strong binding to ATTP.