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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 2.

Figure 2.

(A) First approach to analyze water behavior consisting of counting the number of water molecules near the binding surface of the receptor. (B) Second approach consisting of measuring the empty (i.e., dry) volume near the binding surface and in the interdomain gap.