Table 2 Overview of penalties assigned to modes.
From: Fast automated placement of polar hydrogen atoms in protein-ligand complexes
Mode | penalty |
|---|---|
Flipped group | 0.1 |
Protonated carboxyl group | 0.2 |
Positively charged histidine | 0.1 |
Uncharged lysine | 0.1 |
From: Fast automated placement of polar hydrogen atoms in protein-ligand complexes
Mode | penalty |
|---|---|
Flipped group | 0.1 |
Protonated carboxyl group | 0.2 |
Positively charged histidine | 0.1 |
Uncharged lysine | 0.1 |