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. 2023 Apr 7;11:e14936. doi: 10.7717/peerj.14936

Figure 2. Query model optimization.

Figure 2

(A) Multiple ROCS queries on co-crystal ligand. The green color is indicating hydrophobic regions i.e., four aromatic rings, four red regions are showing acceptors and a single blue region is representing donor. (B) Validation of multiple query model of co-crystal ligand 8kx represented by AUC curve.