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. 2022 Sep 6;12(9):1393. doi: 10.3390/life12091393

Figure 4.

Figure 4

Torsional profiles derived from QM calculations (dots) and JOYCE (lines) for zwitterionic Droxidopa. Each panel refers to one of the dihedral angles defined in Figure 1. Energies are reported in kilojoules per mole (1 kJ/mol = 0.24 kcal/mol).