Skip to main content
. Author manuscript; available in PMC: 2023 Apr 8.
Published in final edited form as: Nat Protoc. 2022 Mar 11;17(4):1114–1141. doi: 10.1038/s41596-021-00676-1

Fig. 11 |. Analysis of the enthalpic driving force of the association of Factor Xa: quaternary ammonium.

Fig. 11 |

The contributions of protein:ligand (a) protein-water (b) and ligand-water (c) are analyzed. The structure corresponding to the most favorable protein-water interaction (r = 16 Å) is depicted in panel (d). Water-mediated salt bridges are found in this structure.