Antibody-Antigen Interface Ala-scanning

Description

This floe runs alanine scanning at the antibody-antigen interface and then performs MMPBSA analysis toidentify residues that strongly contribute to the protein-protein interactions. Mutations are performed using OEMutateResidue with shell minimization.

Related Floes Antibody Mutate Residue(s), Mutate Residue(s)

Titles of required parameters (promoted names)

• Ala Mutation Report Writer (data_out) type: dataset_out: Outputs a record with equal-length csv correlating the mutation and its MMPBSA delta.

  Default: Ala_Scanning_Report
• Failure Dataset Writer (data_out) type: dataset_out: Output dataset to which to write.

  Default: Ala_Scanning_Failures
• Input Dataset of Antibody Design Units (data_in) type: data_source: Input dataset containing the antibody design units of interest complexed with a protein or peptide antigen.
• Ala Mutation Writer (data_out) type: dataset_out: Output antibody design units with an Ala mutation that contains MMPBSA analysis compared to the inputreference.

  Default: Ala_Scanning_Mutations