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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

The Chodera lab at the Memorial Sloan-Kettering Cancer Center

RECENT PUBLICATIONS

Featured
Sep 20, 2017 preprint preprint, chemrxiv John Chodera Comment
Sep 20, 2017 preprint preprint, chemrxiv John Chodera Comment
Binding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes Using Nonequilibrium Candidate Monte Carlo
Sep 20, 2017 preprint preprint, chemrxiv John Chodera Comment
Sep 20, 2017 preprint preprint, chemrxiv John Chodera Comment
Sep 20, 2017 preprint preprint, chemrxiv John Chodera Comment
Sep 20, 2017 preprint preprint, chemrxiv John Chodera Comment
Jul 26, 2017 preprint OpenMM, preprint, bioRxiv, molecular dynamics, GPU John Chodera Comment
Jul 26, 2017 preprint OpenMM, preprint, bioRxiv, molecular dynamics, GPU John Chodera Comment
OpenMM 7: Rapid Development of High Performance Algorithms for Molecular Dynamics
Jul 26, 2017 preprint OpenMM, preprint, bioRxiv, molecular dynamics, GPU John Chodera Comment
Jul 26, 2017 preprint OpenMM, preprint, bioRxiv, molecular dynamics, GPU John Chodera Comment
Jul 26, 2017 preprint OpenMM, preprint, bioRxiv, molecular dynamics, GPU John Chodera Comment
Jul 26, 2017 preprint OpenMM, preprint, bioRxiv, molecular dynamics, GPU John Chodera Comment
Apr 26, 2017 preprint preprint, bioRxiv, FreeSolv, hydration free energies, alchemical methods, molecular simulation John Chodera Comment
Apr 26, 2017 preprint preprint, bioRxiv, FreeSolv, hydration free energies, alchemical methods, molecular simulation John Chodera Comment
Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database
Apr 26, 2017 preprint preprint, bioRxiv, FreeSolv, hydration free energies, alchemical methods, molecular simulation John Chodera Comment
Apr 26, 2017 preprint preprint, bioRxiv, FreeSolv, hydration free energies, alchemical methods, molecular simulation John Chodera Comment
Apr 26, 2017 preprint preprint, bioRxiv, FreeSolv, hydration free energies, alchemical methods, molecular simulation John Chodera Comment
Apr 26, 2017 preprint preprint, bioRxiv, FreeSolv, hydration free energies, alchemical methods, molecular simulation John Chodera Comment
Mar 4, 2017 article collaboration, LDHA, protonation state effects, Nature Chemical Biology John Chodera Comment
Mar 4, 2017 article collaboration, LDHA, protonation state effects, Nature Chemical Biology John Chodera Comment
L-2-Hydroxyglutarate production arises from noncanonical enzyme function at acidic pH
Mar 4, 2017 article collaboration, LDHA, protonation state effects, Nature Chemical Biology John Chodera Comment
Mar 4, 2017 article collaboration, LDHA, protonation state effects, Nature Chemical Biology John Chodera Comment
Mar 4, 2017 article collaboration, LDHA, protonation state effects, Nature Chemical Biology John Chodera Comment
Mar 4, 2017 article collaboration, LDHA, protonation state effects, Nature Chemical Biology John Chodera Comment

RECENT NEWS

Featured
Jul 14, 2017 meetings slides, talks, telluride, free energy John Chodera Comment
Jul 14, 2017 meetings slides, talks, telluride, free energy John Chodera Comment
Slides from the 2017 Telluride Free Energy Meeting
Jul 14, 2017 meetings slides, talks, telluride, free energy John Chodera Comment
Jul 14, 2017 meetings slides, talks, telluride, free energy John Chodera Comment
Jul 14, 2017 meetings slides, talks, telluride, free energy John Chodera Comment
Jul 14, 2017 meetings slides, talks, telluride, free energy John Chodera Comment
Jun 30, 2017 talks Hot Topics John Chodera Comment
Jun 30, 2017 talks Hot Topics John Chodera Comment
Stop fighting matplotlib and make it do what you want
Jun 30, 2017 talks Hot Topics John Chodera Comment
Jun 30, 2017 talks Hot Topics John Chodera Comment
Jun 30, 2017 talks Hot Topics John Chodera Comment
Jun 30, 2017 talks Hot Topics John Chodera Comment
Jun 1, 2017 awards award, rafal wiewiora John Chodera Comment
Jun 1, 2017 awards award, rafal wiewiora John Chodera Comment
Congratulations to Rafal Wiewiora on receiving a Cancer Research Horizon Award!
Jun 1, 2017 awards award, rafal wiewiora John Chodera Comment
Jun 1, 2017 awards award, rafal wiewiora John Chodera Comment
Jun 1, 2017 awards award, rafal wiewiora John Chodera Comment
Jun 1, 2017 awards award, rafal wiewiora John Chodera Comment

RECENT TWEETS

  • John Chodera
    RT @wojcikowskim: Both awarded posters already on Github: https://t.co/GbGt2C29Qw
    about an hour ago
  • John Chodera
    Also congrats to @wojcikowskim! https://t.co/7dEey1SLLr
    about an hour ago
  • John Chodera
    Congrats to @DrJoshuaBox on winning the poster prize at #RDKitUGM2017 for his work on a simple but powerful way to… https://t.co/u2ZwM9qpWx
    about an hour ago