Table 2

Overview of penalties assigned to modes.

Mode

penalty

Flipped group

0.1

Protonated carboxyl group

0.2

Positively charged histidine

0.1

Uncharged lysine

0.1

Lippert and Rarey Journal of Cheminformatics 2009 1:13   doi:10.1186/1758-2946-1-13