Chodera lab // MSKCC
  • Home
  • Research
  • Publications
  • News
  • Code
  • Data
  • Blog
  • Members
  • Folding@home
  • 3D Parts
  • Resources
  • Location
  • Library
  • Links
  • MSKCC

Chodera lab // MSKCC

  • Home/
  • Research/
  • Publications/
  • News/
  • Code/
  • Data/
  • Blog/
  • Members/
  • Folding@home/
  • 3D Parts/
  • Resources/
  • Location/
  • Library/
  • Links/
  • MSKCC/

Chodera lab // MSKCC

Changing drug discovery one ratio of partition functions at a time

Share

Chodera lab // MSKCC

  • Home/
  • Research/
  • Publications/
  • News/
  • Code/
  • Data/
  • Blog/
  • Members/
  • Folding@home/
  • 3D Parts/
  • Resources/
  • Location/
  • Library/
  • Links/
  • MSKCC/
  • Home/
  • Research/
  • Publications/
  • News/
  • Code/
  • Data/
  • Blog/
  • Members/
  • Folding@home/
  • 3D Parts/
  • Resources/
  • Location/
  • Library/
  • Links/
  • MSKCC/

Chodera lab // MSKCC

The Chodera lab at the Memorial Sloan-Kettering Cancer Center

RECENT PUBLICATIONS

Featured
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
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

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 @memprotmd: Just added to MemProtMD - simulation of new structure 5o4c - https://t.co/GwbYgpUcEO https://t.co/6Jj89jz1TM
    about an hour ago
  • John Chodera
    RT @davidlmobley: New preprint (on exciting work with the @jchodera lab!) on enhanced sampling of ligand binding modes out @ChemRxiv ! https://t.co/W5iskfl7fG
    about 7 hours ago
  • John Chodera
    RT @AGSchneiderman: Under this bill, people with metastatic cancer will pay $142,650 more a year to get coverage. That is not reform.… https://t.co/tnMXDMIhp5
    about a day ago