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Table 2 The δ value of halogens per given angle ranges

From: AutoDock VinaXB: implementation of XBSF, new empirical halogen bond scoring function, into AutoDock Vina

Halogen

Angle range

δ value (Å)

Cl

165°–180°

0.25

Cl

150°–164°

0.15

Br

165°–180°

0.45

Br

150°–164°

0.35

Br

135°–149°

0.25

I

165°–180°

0.55

I

150°–164°

0.45

I

135°–149°

0.35

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Journal of Cheminformatics

ISSN: 1758-2946

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