AlloGen: Conformation-Selective Binder Generation with Differential State Scoring
Protein binder design has largely optimized for affinity alone, leaving conformational selectivity unaddressed: for allosteric targets such as kinases, nuclear receptors, and GPCRs, a binder that engages both active and inactive states provides no functional specificity regardless of how tightly it binds. We introduce AlloGen, a modular framework that decouples backbone generation from a learned state-selectivity scorer $Q_θ$, an SE(3)-invariant interface graph transformer trained via a two-phase curriculum that first learns interface geometry before imposing conformational discrimination. Because $Q_θ$ is fully differentiable and generator-agnostic, it integrates with any backbone genera...
| Authors | Hanqun Cao, Zachary Quinn, Aastha Pal et al. |
|---|---|
| Primary category | q-bio.BM |
| Published | 3 June 2026 |
| Last updated at source | 3 June 2026 |
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