Configuration: Workflow: (1) Load target complex structure (PDB/mmCIF or predicted model), (2) Automatically detect or manually define mutable interface positions, (3) Execute single-point through combinatorial ΔΔG scanning with iterative energy recalculation, (4) Rank mutations by predicted binding improvement with per-residue energy decomposition, (5) Export optimized design variants with structures, sequences, and interactive energy visualizations.

Key Parameters: Mutation depth (1–20+ sequential mutations), ΔΔG energy threshold (kcal/mol), interface distance cutoff (Å), orientation-aware scoring toggle, rotamer library selection.