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  1. Large scale prospective evaluation of co-folding across 557 Mac1-ligand complexes and three virtual screens

    This article has 20 authors:
    1. Jongbin Kim
    2. Galen J Correy
    3. Brendan W Hall
    4. Moira M Rachman
    5. Olivier Mailhot
    6. Takaya Togo
    7. Ryan L Gonciarz
    8. Priyadarshini Jaishankar
    9. R Jeffrey Neitz
    10. Eric R Hantz
    11. Yagmur U Doruk
    12. Maisie GV Stevens
    13. Morgan E Diolaiti
    14. Rashad Reid
    15. Saumya Gopalkrishnan
    16. Nevan J Krogan
    17. Adam R Renslo
    18. Alan Ashworth
    19. Brian K Shoichet
    20. James S Fraser
    This article has been curated by 1 group:
    • Curated by eLife

      eLife Assessment

      This study addresses an important gap in drug discovery by delivering a rigorous, large-scale evaluation of widely used co-folding methods for predicting ligand-bound protein complexes and virtual screening. A key strength is the comprehensive benchmarking framework, which leverages structures and chemical compounds that were absent from the AI models training set, thereby providing particularly compelling and unbiased evidence of co-folding performance. The findings clearly delineate the complementary roles of deep learning-based co-folding and physics-based docking, offering practical guidance for their rational integration into drug discovery workflows. Overall, the conclusions are well supported by thorough analyses across a representative set of cases and are highly convincing.

    Reviewed by eLife, PREreview

    This article has 9 evaluationsAppears in 2 listsLatest version Latest activity
  2. Artificial Intelligence in Cardiovascular Medicine: A Comprehensive Clinical Review

    This article has 15 authors:
    1. Vijay Durga Pradeep Ganipineni
    2. Sai Dheeraj Gutlapalli
    3. Jananthan Paramsothy
    4. Ikpechukwu J Okorie
    5. Derek Ugwendum
    6. Meena A Farid
    7. Daniel Fabian
    8. Tharunjan Kailayanathan
    9. GianPaolo Piccione
    10. Ajay Sai Krishna Kumar Idavalapati
    11. Ziteste Azeze
    12. Muhammed Atere
    13. Sean Galligan
    14. Jay Nfonoyim
    15. Francesco Rotatori

    Reviewed by PREreview

    This article has 1 evaluationAppears in 1 listLatest version Latest activity