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

Chodera lab // MSKCC

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

NEWS

March 16, 2016

ACS San Diego: Real-world dynamics in computer-aided drug discovery

March 16, 2016/ John Chodera

Slides from my talk are available here!

March 16, 2016/ John Chodera/ Comment
talks
talks, ACS, San Diego

John Chodera

  • Genspace NYC: Slides from postdoc ...
  • ICMS Edinburgh Workshop on ...
  • Home/
  • Research/
  • Publications/
  • News/
  • Code/
  • Data/
  • Members/
  • 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
multicompound-multitarget-scoring.jpg
Jan 5, 2024
Death by a thousand cuts through kinase inhibitor combinations that maximize selectivity and enable rational multitargeting
Jan 5, 2024
Jan 5, 2024
openmm7-logo.jpg
Dec 28, 2023
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials
Dec 28, 2023
Dec 28, 2023
espaloma-0.3.jpg
Dec 8, 2023
Machine-learned molecular mechanics force field for the simulation of protein-ligand systems and beyond
Dec 8, 2023
Dec 8, 2023
covid-moonshot-logo-small.jpg
Nov 10, 2023
Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors
Nov 10, 2023
Nov 10, 2023

RECENT NEWS

Featured
ellis-logo.jpg
Dec 6, 2024
ELLIS ML4Molecules Workshop in Berlin
Dec 6, 2024
Dec 6, 2024
maria-poster-image-final.jpg
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
icbs2024-presentation.jpg
Oct 29, 2024
ICBS2024 International Chemical Biology Society 2025 keynote in Toronto
Oct 29, 2024
Oct 29, 2024

RECENT TWEETS