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Figure 1 | BMC Pharmacology

Figure 1

From: A novel method for evaluation and screening of caspase inhibitory peptides by the amino acid positional fitness score

Figure 1

Effects of the number of energy evaluations on the quality of the predicted binding mode of peptide. The RMSD value is used as an indicator of the quality of the predicted binding mode, and is determined for the atomic positions of the predicted binding mode of peptide and the native one as found in the crystal structure. (a) caspase-3/DEVD, (b) caspase-7/DEVD, (c) caspase-8/IETD, (d) caspse-9/LEHD. During the docking, the main chain angles of peptides are fixed (â—†) or flexible (â– ).

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BMC Pharmacology

ISSN: 1471-2210