Hybrid AI/physics pipeline for miniprotein binder prioritization: application to the BRD3 ET domain

用于微型蛋白结合剂优先级排序的混合人工智能/物理流程:应用于 BRD3 ET 结构域

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Abstract

AI-based protein design can rapidly generate thousands of candidate binders, but most fail to fold or bind productively, creating a critical need for robust prioritization. We present a generalizable hybrid pipeline that integrates deep-learning design and physics-based simulations to filter large libraries down to a handful of high-confidence candidates.

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