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Advanced filters: Author: Peizhen Bai Clear advanced filters

  • Bai and colleagues present MapDiff, a discrete diffusion-based framework for generating amino acid sequences conditioned on a target protein structure, with strong performance in predicting uncertain regions and achieving high in silico foldability.

    • Peizhen Bai
    • Filip Miljković
    • Haiping Lu
    ResearchOpen Access
    Nature Machine Intelligence
    Volume: 7, P: 876-888

  • Predicting drug–target interaction with computational models has attracted a lot of attention, but it is a difficult problem to generalize across domains to out-of-distribution data. Bai et al. present here a method that aims to model local interactions of proteins and drug molecules while being interpretable and provide cross-domain generalization.

    • Peizhen Bai
    • Filip Miljković
    • Haiping Lu
    Research
    Nature Machine Intelligence
    Volume: 5, P: 126-136