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. Author manuscript; available in PMC: 2013 Mar 21.
Published in final edited form as: J Chem Theory Comput. 2012 Sep 27;8(12):5035–5051. doi: 10.1021/ct3006248

Fig. 26.

Fig. 26

Energetic profile of MMP2 inhibition mechanism by SB-3CT using RPATH/constraint method with more weight on migration hydrogen and kpki =1 kcal•mol−1• Å−2.