Table 3.

Vina and Glide docking score evaluation for EDM

Method	$\text{VR}<0$	$\text{GR}<0$	VS	GS
No guidance	64.26%	20.84%	1.01	−5.16
Guidance	68.45%	39.49%	−2.43	−5.19
No guidance + Opt	72.81%	35.23%	−2.43	−4.92
Guidance + Opt	74.45%	47.96%	−4.05	−4.76

VR < 0 denotes negative vina score ratio, GR < 0 denotes negative docking score ratio, VS denotes the average Vina score in kcal/mol, and GS denotes the average Glide score in kcal/mol