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Showing 1–5 of 5 results
Advanced filters: Author: Casper A. Goverde Clear advanced filters

  • AF2BIND is a logistic regression model trained on AlphaFold2 pair features to predict small-molecule binding-site residues in proteins, without multiple sequence alignments, homology models or knowledge of the true ligand. AF2BIND was used to predict binding sites across the AF2-predicted human proteome, finding thousands of potentially new ligandable sites.

    • Artem Gazizov
    • Anna Lian
    • Nicholas F. Polizzi
    ResearchOpen Access
    Nature Methods
    Volume: 23, P: 626-635

  • A deep learning approach enables accurate computational design of soluble and functional analogues of membrane proteins, expanding the soluble protein fold space and facilitating new approaches to drug screening and design.

    • Casper A. Goverde
    • Martin Pacesa
    • Bruno E. Correia
    ResearchOpen Access
    Nature
    Volume: 631, P: 449-458

  • BindCraft, an open-source, automated pipeline for de novo protein binder design with experimental success rates of 10–100%, leverages AlphaFold2 weights to generate binders with nanomolar affinity without the need for high-throughput screening.

    • Martin Pacesa
    • Lennart Nickel
    • Bruno E. Correia
    ResearchOpen Access
    Nature
    Volume: 646, P: 483-492

  • A surface-centric approach captures the physical and chemical determinants of molecular recognition, enabling the de novo design of protein interactions and of artificial proteins with function.

    • Pablo Gainza
    • Sarah Wehrle
    • Bruno E. Correia
    ResearchOpen Access
    Nature
    Volume: 617, P: 176-184

  • Recent combinations of structure-based and sequence-based calculations and machine learning tools have dramatically improved protein engineering and design. Although designing complex protein structures remains challenging, these methods have enabled the design of therapeutically relevant activities, including vaccine antigens, antivirals and drug-delivery nano-vehicles.

    • Dina Listov
    • Casper A. Goverde
    • Sarel Jacob Fleishman
    Reviews
    Nature Reviews Molecular Cell Biology
    Volume: 25, P: 639-653