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Chodera lab // MSKCC

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Chodera lab // MSKCC

Changing drug discovery one ratio of partition functions at a time

News

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NEWS

May 19, 2025

ML Foundry AI for Science Symposium

May 19, 2025/ John Chodera

I really enjoyed presenting a poster at the AI for Science Symposium hosted by ML Foundry on Fri 16 May 2025. You can check out the poster here: [PDF]

May 19, 2025/ John Chodera/ Comment
AI4Science, poster, ML Foundry

John Chodera

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Chodera lab // MSKCC

The Chodera lab at the Memorial Sloan-Kettering Cancer Center

RECENT PUBLICATIONS

Featured
prospective-kinase-mutations.jpg
Nov 17, 2024
Prospective evaluation of structure-based simulations reveal their ability to predict the impact of kinase mutations on inhibitor binding
Nov 17, 2024
Nov 17, 2024
nutmeg-spice.jpg
Sep 25, 2024
Nutmeg and SPICE: Models and data for biomolecular machine learning
Sep 25, 2024
Sep 25, 2024
kinoml-lessons-learned.jpg
Sep 10, 2024
Lessons learned during the journey of data: from experiment to model for predicting kinase affinity, selectivity, polypharmacology, and resistance
Sep 10, 2024
Sep 10, 2024
espaloma-0.3.jpg
Jun 26, 2024
Machine-learned molecular mechanics force fields from large-scale quantum chemical data
Jun 26, 2024
Jun 26, 2024

RECENT NEWS

Featured
2025-05-16 Foundry Breakthrough Research poster - thumbnail.jpg
May 19, 2025
ML Foundry AI for Science Symposium
May 19, 2025
May 19, 2025
ellis-logo.jpg
Dec 6, 2024
ELLIS ML4Molecules Workshop in Berlin
Dec 6, 2024
Dec 6, 2024
maria-poster-image-final.jpg
Nov 3, 2024
Postdoctoral Fellow Maria A. Castellanos wins poster prize at Computational Medicinal Chemistry School for AlphaFold-based prediction of antiviral spectrum
Nov 3, 2024
Nov 3, 2024

RECENT TWEETS