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. 2023 Dec 7;7(1-4):29–38. doi: 10.1049/enb2.12028

FIGURE 5.

FIGURE 5

Comparison of CrMAS Binding Sites between MedChemExpress and InFinity 1.0 with 2,3‐oxidosqualene as the Ligand. (a) Comparative analysis of various scoring functions—EquiBind, Autodock Vina, and GNINA—against the findings presented in Kong et al. [42] following the docking process. (b) PyMOL visualisation of the binding site at Site 1 with 2,3‐oxidosqualene inside. CrMAS, amyrin synthase enzyme.