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. 2024 Mar 24;16(3):e56846. doi: 10.7759/cureus.56846

Table 5. CDOCKER IE analysis of ligand (sivelestat) with MMP-2 using CDOCKER method.

IE: Interaction energy; AA: Amino acid MMP-2: Matrix metalloproteinase-2; ◊: Pi-Pi interaction

Ligand CDOCKER IE (-kcal/mol) Interaction of AA residue Bond distance in Å
  Sivelestat   76.4 Ala167 2.2
Pro221 2.3
His201 3.4