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. Author manuscript; available in PMC: 2015 May 19.
Published in final edited form as: Bioorg Med Chem Lett. 2009 Mar 28;19(10):2722–2727. doi: 10.1016/j.bmcl.2009.03.118

Figure 1.

Figure 1

Molecular dynamics simulated pose of compound 21 (green stick) bound to SARS-CoV 3CLpro (PDB 1WOF, with red and cyan ribbons with molecular surfaces). (a) Overlapped view with an original vinyl ester ligand (pink stick). (b) Contacted residues with hydrogen bonding interactions (dotted line).