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. Author manuscript; available in PMC: 2016 Nov 21.
Published in final edited form as: Phys Chem Chem Phys. 2015 Nov 21;17(43):28789–28801. doi: 10.1039/c5cp04475h

Fig. 11.

Fig. 11

The relative energy dependence on the rotation of Tyr and Phe aromatic rings in the YAF peptide. The calculations were performed with (DFT+D) and without (DFT) empirical dispersion correction.