Chodera lab // MSKCC

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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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Chodera lab // MSKCC

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MSKCC/

Home/
Research/
Publications/
News/
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Data/
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ASAP/
Folding@home/
3D Parts/
Resources/
Location/
Links/
Funding/
Disclosures/
Jobs/
MSKCC/

Chodera lab // MSKCC

The Chodera lab at the Memorial Sloan-Kettering Cancer Center

RECENT PUBLICATIONS

Featured

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

Sep 25, 2024

Nutmeg and SPICE: Models and data for biomolecular machine learning

Sep 25, 2024

Sep 25, 2024

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

Dec 6, 2024

ELLIS ML4Molecules Workshop in Berlin

Dec 6, 2024

Dec 6, 2024

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

Oct 29, 2024

ICBS2024 International Chemical Biology Society 2025 keynote in Toronto

Oct 29, 2024

Oct 29, 2024

RECENT TWEETS