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. Author manuscript; available in PMC: 2010 Jul 2.
Published in final edited form as: J Med Chem. 2005 Aug 25;48(17):5437–5447. doi: 10.1021/jm049050v

Figure 3.

Figure 3

Experimental inhibition constants Ki (M) of hydroxamates (Table 1) vs MMP-9 as a linear combination of the change in the SASA (Å2) caused by binding and the QM/MM interaction energy (kcal/mol) for the time-averaged structures obtained by MD simulation.