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. Author manuscript; available in PMC: 2018 Apr 20.
Published in final edited form as: J Phys Chem B. 2017 Mar 3;121(15):3597–3606. doi: 10.1021/acs.jpcb.6b09388

Figure 5.

Figure 5

The volume of the S1 binding site with benzamidine restrained to the milestones as computed using the POVME2 program. Stabilization of the binding site pocket volume is observed as the ligand moves closer to the binding site.