PICKAPEP

PICKAPEP enables the virtual construction, parameter calculation, and visualization of cyclized and modified peptidomimetics to facilitate peptide drug development.

Key Features:

• Custom Amino Acid Building Blocks: PICKAPEP allows users to add custom amino acids as building blocks for constructing peptidomimetics.
• Batch Processing of Peptide Libraries: PICKAPEP processes large peptide libraries and calculates parameters for multiple peptides at once.
• Parameter Calculation: PICKAPEP calculates molecular weight, water-octanol partition coefficient, topological polar surface area, number of rotatable bonds, and peptide SMILES code.
• Virtual Construction and Visualization: PICKAPEP enables virtual construction and visualization of peptidomimetics ranging from well-known cyclized and modified peptides such as ciclosporin A up to fully self-designed peptide-based structures.

Scientific Applications:

• Peptidomimetic Design: PICKAPEP supports the design of cyclized and modified peptidomimetics incorporating nonnatural amino acids, sophisticated cyclization strategies, and side chain modifications.
• Peptide Drug Development: PICKAPEP facilitates peptide drug development by enabling parameter calculation and visualization of peptide-based structures with improved pharmacokinetic properties.

Methodology:

The computational methods underlying PICKAPEP are not explicitly detailed in the sources.