MultiGeo: Predicting Drug-Target Affinity via Adaptive Multi-Conformation Ensemble Learning
MultiGeo is a DTA prediction framework that explicitly leverages multiple protein conformations rather than a single snapshot, and introduces a disagreement-aware gating mechanism that adaptively fuses this ensemble representation with the dominant structure only when the additional conformers provide complementary information.
Ruida Zeng, Cheng Guo, Yajie Meng et al.
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