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. Author manuscript; available in PMC: 2019 Dec 13.
Published in final edited form as: J Phys Chem B. 2018 Oct 9;122(49):11695–11701. doi: 10.1021/acs.jpcb.8b07773

Figure 5.

Figure 5.

Water vacancy maps contoured at 0.25 (solid blobs) and 0.10 (dashed blobs), representing regions of the solvent that are often empty (desolvated) during the simulations of MDM2 and p53, at separation distances of 3.8–9.5 Å. These maps were calculated within a cutoff radius of 9.5 Å from the center of the MDM2 binding region. The arrows indicate regions of MDM2 often dry when p53 is less than 7.6 Å away (in blue), an often dry region near Trp23 in p53 (in pink), and a transient dewetting in the interdomain gap (in green).