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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

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NEWS

July 22, 2026

2026 Computational Chemistry GRC in Barcelona

July 22, 2026/ John Chodera

I’m tremendously excited to be back in Barcelona at the 2026 Computational Chemistry Gordon Research Conference (GRC) to talk about the future of molecular simulation! You can find a copy of my slides here.

July 22, 2026/ John Chodera/ Comment
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John Chodera

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Chodera lab // MSKCC

The Chodera lab at the Memorial Sloan-Kettering Cancer Center

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RECENT PUBLICATIONS

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

RECENT NEWS

Featured
barcelona-1.jpg
July 22, 2026
2026 Computational Chemistry GRC in Barcelona
July 22, 2026
July 22, 2026
2026-07-01 NYU CHEMAI 2026 talk title slide.jpg
July 1, 2026
NYU CHEMAI 2026 talk
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July 1, 2026
2025-05-16 Foundry Breakthrough Research poster - thumbnail.jpg
May 19, 2025
ML Foundry AI for Science Symposium
May 19, 2025
May 19, 2025

RECENT TWEETS