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Fig. 3 | Journal of Cheminformatics

Fig. 3

From: A novel interaction fingerprint derived from per atom score contributions: exhaustive evaluation of interaction fingerprint performance in docking based virtual screening

Fig. 3

Interactions in binding sites of proteins with good interaction fingerprint performance. Representative complexes for a NA (1a4 g@pdb), b HMGR (1hw8@pdb), c thrombin (1ba8@pdb), d EGFR [overlay of 1m17 with ligands from 1m17 (orange), 1ax9 (blue), 2rgp (purple), 3bel (green) and 4g5j (red)], e COX-2 (1cx2@pdb) and f PR (1sr7@pdb)

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