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The pharmacophore mode of the CDK2-staurosporine complex (PDB entry 1AQ1) elucidated by our algorithm. (A) Binding mode of staurosporine to CDK2. (B) The grids with significant contributions to binding. (C) Grids after refinement. (D) The final pharmacophore model. In each figure, features of hydrogen bond donor, hydrogen bond acceptor, and hydrophobic center are represented by dots/balls in green, red, and cyan, respectively.
