Peptide Design

Peptide Design uses an AI model to generate peptide ligands optimized for specific active sites on a target protein and performs AI-based peptide design simulations to improve their binding properties.

Users can define a target binding site by specifying a protein chain and residue position, then generate candidate peptides by setting the desired peptide length and number of peptides.

Predecessor Module

• PDB File Upload
• PDB Code Input
• CaliciFold

Input Parameters

Select an Input module

If you already have a peptide sequence, use the Peptide Sequence Upload module.

Specify the Target Binding Site

Configure the following parameters to specify the target site where the peptide will bind.

Input Parameter	Description
Protein Chain	Select the chain of the target protein to which the peptide will be designed to bind.
Residue Position	Enter the residue number within the selected protein chain to specify the target binding site.
Peptide Length	Specify the number of amino acid residues in each peptide to be generated.
Number of Peptides	Specify the number of candidate peptides to be generated.

Module running screen

Progress messages

Result screen