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Fig. 10 | Journal of Cheminformatics

Fig. 10

From: Binding mode information improves fragment docking

Fig. 10

Multiple poses of CK2 within the cyclin-dependent kinase 2. Crystallographic structures revealed two binding modes in the protein site (Uniprot: P24941). The crystallographic poses are represented with transparent cyan sticks (PDB 1PXJ and 2C5O). In green are shown the top ranked correct poses (RMSD to the native pose < 1.0 Å). In grey are shown the top ranked incorrect poses. a The six best poses according to GRIM ranking. b The seven best poses according to ROCS ranking

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