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  Indian J Med Microbiol
 

Figure 5: Contribution of compound descriptors towards receptor-ligand interactions. (A) overall representation of GRINDs contribution in receptor selectivity. Y-axes indicate the regression coefficients related to the cross-terms. The interval between the vertical separators represents the node-node distance range of 0 Å to 26 Å for each particular GRIND. (B), (C), (D), and (E) represent DRY-DRY, O-O, N1-N1, and DRY-N1 descriptors, respectively. Within certain distances (marked by numbered arrows), the mentioned types of GRINDs are highly discriminative with regard to specific receptors. (GRIND), grid independent descriptors.

Figure 5: Contribution of compound descriptors towards receptor-ligand interactions. (A) overall representation of GRINDs contribution in receptor selectivity. Y-axes indicate the regression coefficients related to the cross-terms. The interval between the vertical separators represents the node-node distance range of 0 Å to 26 Å for each particular GRIND. (B), (C), (D), and (E) represent DRY-DRY, O-O, N1-N1, and DRY-N1 descriptors, respectively. Within certain distances (marked by numbered arrows), the mentioned types of GRINDs are highly discriminative with regard to specific receptors. (GRIND), grid independent descriptors.