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

Chodera lab // MSKCC

  • Home/
  • Research/
  • Publications/
  • News/
  • Code/
  • Data/
  • Blog/
  • Members/
  • Folding@home/
  • 3D Parts/
  • Resources/
  • Location/
  • Library/
  • Links/
  • Jobs/
  • Funding/
  • MSKCC/
teletype-terminal-2.jpg

Chodera lab // MSKCC

Changing drug discovery one ratio of partition functions at a time

News

Chodera lab // MSKCC

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

NEWS

December 26, 2016

Microsecond trajectory of human tyrosine kinase ABL1 kinase domain on Figshare

December 26, 2016/ John Chodera

We've shared on Figshare a microsecond trajectory of the human tyrosine kinase ABL1 kinase domain generated by our lab on Folding@home for an openpathsampling-related project, but we figured this may be of general interest! Thanks to postdoc Sonya Hanson for putting this together.

https://dx.doi.org/10.6084/m9.figshare.4496795.v1

December 26, 2016/ John Chodera/ Comment
takeaways
Figshare, ABL1, kinase, molecular dynamics

John Chodera

  • New Nature Chemical Biology paper ...
  • OpenMM 7.1 beta released
  • Home/
  • Research/
  • Publications/
  • News/
  • Code/
  • Data/
  • Blog/
  • Members/
  • Folding@home/
  • 3D Parts/
  • Resources/
  • Location/
  • Library/
  • Links/
  • Jobs/
  • Funding/
  • MSKCC/

Chodera lab // MSKCC

The Chodera lab at the Memorial Sloan-Kettering Cancer Center

RECENT PUBLICATIONS

Featured
Jan 3, 2019
What makes a kinase promiscuous for inhibitors?
Jan 3, 2019
Jan 3, 2019
Aug 25, 2018
A novel small-molecule pan-Id antagonist inhibits pathologic ocular neovascularization
Aug 25, 2018
Aug 25, 2018
Aug 20, 2018
The dynamic conformational landscapes of the protein methyltransferase SETD8
Aug 20, 2018
Aug 20, 2018
Aug 6, 2018
Toward learned chemical perception of force field typing rules
Aug 6, 2018
Aug 6, 2018

RECENT NEWS

Featured
Oct 20, 2018
The Chodera lab teams up with Andrea Volkamer to explore the interface of machine learning and free energy calculations
Oct 20, 2018
Oct 20, 2018
Oct 15, 2018
Celebrating six years of the Chodera lab!
Oct 15, 2018
Oct 15, 2018
Jul 4, 2018
Congratulations to TPCB graduate student Chaya Stern for being selected for a 2018 MolSSI Phase I Fellowship!
Jul 4, 2018
Jul 4, 2018

RECENT TWEETS

  • John Chodera
    We had a few talks about blockchain technology for healthcare, but Cécile Monteil of @eppocrate gave the clearest,… https://t.co/pvzvADRGkY
    about 3 months ago
  • John Chodera
    RT @MolSSI_NSF: As a component of this partnership, #TheMolSSI & @BioExcelCoE are organizing a pair workshops on the application of… https://t.co/YT9eD9GvKY
    about 3 months ago
  • John Chodera
    RT @MolSSI_NSF: Last year, we announced our partnership with @BioExcelCoE, to “strengthen the links with the research communities i… https://t.co/ZeioE9nxOM
    about 3 months ago