Table 1.

Vina and Glide docking score evaluation for SemlaFlow

Method	$\text{VR}<0$	$\text{GR}<0$	VS	GS
No guidance	47.00%	19.41%	3.04	−4.45
Guidance	64.25%	56.61%	−4.20	−4.81
No guidance + Opt	64.98%	53.85%	−4.23	−5.21
Guidance + Opt	65.59%	59.06%	−5.21	−5.03

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