Figure 2.

Evaporation of water molecules from PDCs during extended simulations under dehydrating conditions in vacuo. (A) Snapshots from the final frames of each simulation show the protein in yellow cartoon representation and the detergent molecules as a surface with headgroups colored red and tails colored gray. Bound water molecules are shown as cyan spheres. (B) Hydrogen-bonding interactions of water molecules with detergent (black lines) and with protein (red lines) as functions of time.