Figure 2

The workflow of this study. HM refers to Homology modelling. RC and AH refer to Random Coil and Alpha Helix, respectively. N-ter refers to N-terminus. CMD and CpHMD refer to Conventional Molecular Dynamics and Constant pH Molecular Dynamics, respectively. S17 refers to the CMD Simulation of DhelOBP21 and (+)-Sativene (Table 1).