Workflow from Scientific Research

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To dock repeat proteins and repeat peptides with compatible superhelical parameters, their superhelical axes are first aligned, and the repeat peptide is then rotated around and slid along this axis. For each of these docks, for each pair of repeat protein–repeat peptide residues within a threshold distance, the hash key is calculated from the rigid-body transform between backbones and the backbone torsions of the peptide residue, and the hash table is interrogated. If the key is found in the hash table, side chains with the stored identities and torsion angles are installed in the docking interface.
#Workflow#Illustration#Repeat Proteins#Repeat Peptides#Superhelical Parameters#Molecular Docking#Rigid-Body Transform#Torsion Angles#Docking Interface
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