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John Chodera on Muck Rack

John Chodera

New York
As seen in: Nature, ACS Publications, Royal Society of Chemistry, BioRxiv, Cell Press, Knowable Magazine
Changing drug discovery one ratio of partition functions at a time. Heading up antiviral discovery for pandemics: asapdiscovery.org choderalab.org/disclaimer
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Articles

Blind Challenges Let Us See the Path Forward for Predictive Models

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By John Chodera, W. Patrick Walters, Sriram Kosuri, James Fraser
| dx.doi.org
Special Issue Published as part of Journal of Chemical Information and Modeling special issue “Open Science and Blind Data: The Antiviral Discovery Challenge”. Drug Discovery Is Costly Click to copy section linkSection link copied! Drug discovery and development is costly, time-consuming, and subject to failure.
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Blind Challenges Let Us See the Path Forward for Predictive Models

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By John Chodera, W. Patrick Walters, Sriram Kosuri, James Fraser
| preprints.org
Submitted: 11 December 2025 You are already at the latest version The rapid proliferation of AI/ML models in drug discovery heralds an era of extraordinary progress, but also raises urgent questions about whether the true predictive performance is as good as advertised. On-target prediction models often benefit from high-resolution structural or atomistic representations that capture the subtleties of binding affinity and pose.
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The Need for Continuing Blinded Pose- and Activity Prediction Benchmarks

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By Christian Krämer, John Chodera, Kelly L Damm-Ganamet, Michael Gilson
| dx.doi.org
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