RECEPTOR BINDING. “H2O and D2O have mutually slightly shifted densities inside the protein cavity, with H2O overlapping better than D2O with the modeled water positions. Furthermore, MD simulations show clustered water molecules close to the lactisole binding site. These internal positions may have a differential effect between H2O and D2O, though differences between the averaged water densities are not very pronounced.”
https://lnkd.in/dzPDm5w
linkedin post 2022-06-29 05:12:48
Nigel Fleming
September 21, 2022