Probing inhibition mechanisms of adenosine deaminase by using molecular dynamics simulations
Fig 3
Electrostatic potential information of the three ligands: FR0, FR2, and PRH.
Surface area in each electrostatic potential (ESP) ranges on the vdW surface of (a) FR0 (c) FR2 and (e) PRH. ESP-mapped molecular vdW surface of (b) FR0 (d) FR2 and (f) PRH.