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Co-folding models show promise for protein structure and small-molecule learning

Two new research papers explore the application of co-folding models in molecular learning, particularly for drug design. The first paper introduces AIMS-Fold, a framework that integrates structural proteomics data with diffusion models to improve the prediction of protein complex structures, outperforming existing computational models for induced proximity targets. The second paper systematically evaluates Boltz2, a co-folding model, demonstrating that its learned ligand representations are effective for small-molecule learning tasks, including ADMET prediction and molecular generative modeling, and can complement existing standalone molecular supervision methods. AI

IMPACT These co-folding models demonstrate potential for advancing drug design and molecular discovery by improving structure prediction and representation learning.

RANK_REASON Two academic papers published on arXiv detailing new research into co-folding models for molecular learning.

Read on arXiv cs.AI →

AI-generated summary · Google Gemini · from 2 sources. How we write summaries →

Co-folding models show promise for protein structure and small-molecule learning

COVERAGE [2]

  1. arXiv cs.AI TIER_1 English(EN) · Alon Shtrikman, Nitzan Simchi, Michal Ran Shchory, Sagie Brodsky, Eran Seger, Kirill Pevzner ·

    Co-folding model guided by structural proteomics

    arXiv:2605.26192v1 Announce Type: cross Abstract: Protein structure generative models excel at predicting single protein static structures from sequence, but routinely fail to capture the correct conformational state of protein complexes, critical for protein design and induced p…

  2. arXiv cs.AI TIER_1 English(EN) · Hyosoon Jang, Hyunjin Seo, Honghui Kim, Seonghyun Park, Taewon Kim, Yunhui Jang, Sungsoo Ahn ·

    A Systematic Evaluation of Co-folding Model Representations for Small-Molecule Learning

    arXiv:2602.13249v2 Announce Type: replace-cross Abstract: Small-molecule foundation models are typically pretrained on standalone molecular data, unlike vision and language models that often benefit from cross-modal or relational supervision. Protein-ligand co-folding provides a …