From: Halogen-directed drug design for Alzheimer’s disease: a combined density functional and molecular docking study
Systems
Free energy of binding
Chair
Boat
D-AchE
−11.1
−11.5
D1-AchE
−11.7
−12.6
D2-AchE
−12.0
D3-AchE
−11.2
D4-AchE
−10.2
−11.0
D5-AchE
−12.5