What problem does it solve?
ipSAE provides more accurate ranking of designed protein binders than ipTM or iPAE, helping researchers prioritize candidates for experimental validation and reduce wasted lab resources. It converts predicted structures and error matrices into chain-pair scores that correlate better with binding success for designed complexes.
Core Features & Use Cases
- Improved Ranking: Produces ipSAE_min, LIS, and pDockQ metrics to rank binder candidates with higher precision.
- Multi-model Compatibility: Works with AlphaFold2/AlphaFold3 outputs, BoltzGen/Boltz predictions, and BindCraft-refined models when PAE or equivalent error matrices are available.
- Practical Thresholds: Typical selection thresholds are ipSAE_min > 0.61 for standard selection and > 0.70 for stringent selection, with LIS and pDockQ recommendations included.
- Use Case: Filter and prioritize hundreds of binder designs from a BoltzGen campaign to select top candidates for synthesis and experimental screening.
Quick Start
Rank the provided binder designs by computing ipSAE scores and return the top candidates with ipSAE_min above 0.61.