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. Author manuscript; available in PMC: 2016 Feb 15.
Published in final edited form as: J Chem Inf Model. 2014 Jan 21;54(2):648–659. doi: 10.1021/ci4004656

Figure 4.

Figure 4

Re- and cross-docking experiments using compound conformers taken from protein— compound complex structures. The lowest-RMSD pose from the 10 best poses identified by each program is reported. Diagonal boxes (bold borders) indicate re-docking while the others represent cross docking. RMSD (Å) indicated by color: Green, 0—1; Yellow, 1—2; Orange, 2— 3; Red, >3. Failure to meet pocket-contact criteria is indicated by dual colors (first half of the box based on RMSD and second half red indicating failure to meet pocket criteria)