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. Author manuscript; available in PMC: 2020 Feb 28.
Published in final edited form as: J Phys Chem B. 2019 Jan 3;123(8):1741–1748. doi: 10.1021/acs.jpcb.8b10341

Figure 6.

Figure 6.

Rearrangement of binding pocket residues during the unbinding of JLJ135, as seen from the side-chain COM distances between Lys101-Glu138 (a, b) and Val179-Leu100 (c, d).