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Figure 1 | BMC Bioinformatics

Figure 1

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

Figure 1

Cavities detected with mkgrid and mapping of the docking outputs with SOMs for DUD-E active molecules docked with ADvina. (a) HIV-RT represented by ribbons and pink transparent surface, with cavities labeled (1,2,3,4,5,7). Cavities 6,8 and 9 are not visible on this 2D projection. (b) SOM representation of results. AS fits in the dark blue cavity (2) and BS2 in the big cyan cavity (3). Cavity (6), behind, is pointed out with an arrow. (c) ABL1 represented by ribbons and light blue transparent surface, with cavities labeled (1’,3’,4’,6’,7’ and 11’). The remaining cavities are not visible on this 2D projection. (d) SOM representation of results. AS fits in the dark blue cavity (1’) and BS2 is in cavity (6’).

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