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High confidence in silico models predict EGCG binding to the trypanothione binding site of trypanothione reductase (TR). Two dimensional representation of the interaction between EGCG (central carbon structure) and TR residues (green circles with aminoacid numbering; the letters A and B refer to different monomers) in (A) the most prevalent and also lowest energy EGCG/TRox cluster, (B) the lowest energy EGCG/TRred cluster, and (C) the most prevalent EGCG/TRred cluster.
