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Applying computational protein design to therapeutic antibody discovery -- current state and perspectives

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arxiv 2503.00913 v1 pith:DAWMFS35 submitted 2025-03-02 q-bio.BM

classification q-bio.BM
keywords computationaldesignproteinantibodiesantibodycurrentdiscoverymolecules
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Machine learning applications in protein sciences have ushered in a new era for designing molecules in silico. Antibodies, which currently form the largest group of biologics in clinical use, stand to benefit greatly from this shift. Despite the proliferation of these protein design tools, their direct application to antibodies is often limited by the unique structural biology of these molecules. Here, we review the current computational methods for antibody design, highlighting their role in advancing computational drug discovery.

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Cited by 1 Pith paper

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  1. Resilient Biosecurity in the Era of AI-Enabled Bioweapons

    q-bio.QM 2025-08 conditional novelty 6.0 of 10

    A benchmark of three PPI predictors shows they miss many known viral-host interactions and all four tested ACE2-binding spike mutants, underpinning a call for response-oriented biosecurity.

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