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Figure 4 | BMC Bioinformatics

Figure 4

From: Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis

Figure 4

SOM analysis of docking results obtained with ADvina on ABL1. Top line, (a), (b) and (c): U-matrices; bottom line, (d), (e) and (f): docking score projections. Left column, (a) and (d): DUD-E decoys set (map dimensions (I,J,K) are equal to (28,15,8)). Middle column, (b) and (e): DUD-E active molecules ((I,J,K) = (31,14,8)). Right column, (c) and (f): EGF collection ((I,J,K) = (34,12,8)). Labels (1’) and (6’) correspond to cavity numbers used in Figure 1. They designate the AS and BS2, respectively.

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BMC Bioinformatics

ISSN: 1471-2105

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