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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
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
Acidification enhances production of L-2-hydroxyglutarate through alternative substrate use by dehydrogenase enzymes
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
Feb 6, 2017 article aurora, kinase, Nature Chemical Biology, Folding@home John Chodera Comment
Feb 6, 2017 article aurora, kinase, Nature Chemical Biology, Folding@home John Chodera Comment
A conserved water-mediated hydrogen bond network governs allosteric activation in Aurora kinase A
Feb 6, 2017 article aurora, kinase, Nature Chemical Biology, Folding@home John Chodera Comment
Feb 6, 2017 article aurora, kinase, Nature Chemical Biology, Folding@home John Chodera Comment
Feb 6, 2017 article aurora, kinase, Nature Chemical Biology, Folding@home John Chodera Comment
Feb 6, 2017 article aurora, kinase, Nature Chemical Biology, Folding@home John Chodera Comment
Oct 17, 2016 preprint OpenMM, preprint, bioRxiv, molecular dynamics, GPU John Chodera Comment
Oct 17, 2016 preprint OpenMM, preprint, bioRxiv, molecular dynamics, GPU John Chodera Comment
OpenMM 7: Rapid Development of High Performance Algorithms for Molecular Dynamics
Oct 17, 2016 preprint OpenMM, preprint, bioRxiv, molecular dynamics, GPU John Chodera Comment
Oct 17, 2016 preprint OpenMM, preprint, bioRxiv, molecular dynamics, GPU John Chodera Comment
Oct 17, 2016 preprint OpenMM, preprint, bioRxiv, molecular dynamics, GPU John Chodera Comment
Oct 17, 2016 preprint OpenMM, preprint, bioRxiv, molecular dynamics, GPU John Chodera Comment

RECENT NEWS

Featured
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
May 22, 2017 news, awards scholarship, chaya, Chaya Stern John Chodera Comment
May 22, 2017 news, awards scholarship, chaya, Chaya Stern John Chodera Comment
Congratulations to Chaya Stern for receiving a Diversity Scholarship to attend SciPy 2017!
May 22, 2017 news, awards scholarship, chaya, Chaya Stern John Chodera Comment
May 22, 2017 news, awards scholarship, chaya, Chaya Stern John Chodera Comment
May 22, 2017 news, awards scholarship, chaya, Chaya Stern John Chodera Comment
May 22, 2017 news, awards scholarship, chaya, Chaya Stern John Chodera Comment
Apr 20, 2017 awards fellowships, MolSSI, Gregory Ross John Chodera Comment
Apr 20, 2017 awards fellowships, MolSSI, Gregory Ross John Chodera Comment
Postdoc Gregory Ross awarded Postdoctoral MolSSI Fellowship
Apr 20, 2017 awards fellowships, MolSSI, Gregory Ross John Chodera Comment
Apr 20, 2017 awards fellowships, MolSSI, Gregory Ross John Chodera Comment
Apr 20, 2017 awards fellowships, MolSSI, Gregory Ross John Chodera Comment
Apr 20, 2017 awards fellowships, MolSSI, Gregory Ross John Chodera Comment

RECENT TWEETS

  • John Chodera
    RT @egonwillighagen: I'd love if all chemists would put their (one) favorite chemical in this spreadsheet with SMILES, InChIKey and DOI… https://t.co/FiZSh9b4AB
    about 3 hours ago
  • John Chodera
    RT @acellera: Insights into the binding mode of MEK type-III inhibitors. https://t.co/XumEvcOlt9
    about 14 hours ago
  • John Chodera
    RT @stephenfloor: @LucyRForrest @jchodera Very big: Wiley profit margins ~40%, Elsevier ~35%, industry-wide estimated 20-30%. https://t.co/enzsZR62Iy
    about 18 hours ago