Figure 6.
Three solid-state conformations of peptide 16 were optimized using DFT at the M06-2X/6-311++G(2d,3p)//B3LYP/6-31+G(d,p) level of theory.
Three solid-state conformations of peptide 16 were optimized using DFT at the M06-2X/6-311++G(2d,3p)//B3LYP/6-31+G(d,p) level of theory.