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Chodera lab // MSKCC

Changing drug discovery one ratio of partition functions at a time

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NEWS

December 06, 2024

ELLIS ML4Molecules Workshop in Berlin

December 06, 2024/ John Chodera

I recently had the privilege of speaking at the ELLIS ML4Molecules Workshop at the Fritz-Haber Institute in Berlin on 6 Dec 2024. You can find a copy of my slides here: [PDF]

December 06, 2024/ John Chodera/ Comment
talks
ML4Molecules, ELLIS, machine learning, ML, talks, slides

John Chodera

July 16, 2023

CADD GRC 2023 talk

July 16, 2023/ John Chodera

I’m thrilled to have the opportunity to speak about the COVID Moonshot (and its successor, ASAP) at the 2023 Computer Aided Drug Discovery Gordon Research Conference. A copy of my slides can be found here: [PDF]

July 16, 2023/ John Chodera/ Comment
talks
CADD GRC, talks, slides, talk slides, John Chodera, COVID Moonshot, antivir, asap

John Chodera

April 09, 2020

Slides from COVID Moonshot BioSolveIT Webinar

April 09, 2020/ John Chodera
biosolve-it-webinar.jpg

We participated in a webinar hosted by BioSolveIT discussing the COVID Moonshot today! You can find the slides I presented here: [PDF]

Talk recording: [YouTube]

You can find all our scripts, input files, and output on GitHub:
http://github.com/foldingathome/covid-moonshot

April 09, 2020/ John Chodera/ Comment
talks
COVID Moonshot, John Chodera, BioSolveIT, webinar, talk, slides

John Chodera

November 09, 2017

OpenEye MiniCUP Boston: Building next-generation forcefields and moving free energy calculations to the cloud

November 09, 2017/ John Chodera
logo.jpg

I'm excited to attend OpenEye MIniCUP in Boston to talk about our work on building scalable open source software for exploring technological innovations in free energy calculations in the cloud! You can find a copy of the slides I presented here: [PDF]

November 09, 2017/ John Chodera/ Comment
talks
talks, slides

John Chodera

July 14, 2017

Slides from the 2017 Telluride Free Energy Meeting

July 14, 2017/ John Chodera
IMG_6921.JPG

The 2017 Telluride Free Energy Calculations Workshop just wrapped up! Here are my slides:
[PDF]

July 14, 2017/ John Chodera/ Comment
meetings
slides, talks, telluride, free energy

John Chodera

September 14, 2016

Slides for CCPBioSim talk at Kings College London

September 14, 2016/ John Chodera

Slides for my talk at the CCPBioSim Free Energy Calculation and Kinetics Workshop at Kings College London are available here.

September 14, 2016/ John Chodera/ Comment
talks
talk, slides, kinetics, Kings College London, molecular kinetics, MSMs

John Chodera

August 23, 2016

ACS Philadelphia Polypharmacology session slides

August 23, 2016/ John Chodera

Slides for my talk for the ACS Philadelphia session on polypharmacology can be found here: PDF

August 23, 2016/ John Chodera/ Comment
talks
polypharmacology, talks, slides

John Chodera

August 22, 2016

ACS Session on Sharing Pharmaceutical Industry Data

August 22, 2016/ John Chodera

The slides for my talk in the afternoon ACS Philadelphia session on Sharing Pharmaceutical Industry Data are available here: PDF

August 22, 2016/ John Chodera/ Comment
talks
talks, slides, sharing data, open science

John Chodera

March 18, 2014

Talk slides for Erlangen Molecular Modelling Workshop posted

March 18, 2014/ John Chodera

My talk slides for the 2014 Erlangen Molecular Modelling Workshop have been posted on github:

https://github.com/choderalab/erlangen-2014

March 18, 2014/ John Chodera/ Comment
talks, meetings, takeaways
talks, slides, github

John Chodera

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Chodera lab // MSKCC

The Chodera lab at the Memorial Sloan-Kettering Cancer Center

RECENT PUBLICATIONS

Featured
prospective-kinase-mutations.jpg
Nov 17, 2024
Prospective evaluation of structure-based simulations reveal their ability to predict the impact of kinase mutations on inhibitor binding
Nov 17, 2024
Nov 17, 2024
nutmeg-spice.jpg
Sep 25, 2024
Nutmeg and SPICE: Models and data for biomolecular machine learning
Sep 25, 2024
Sep 25, 2024
kinoml-lessons-learned.jpg
Sep 10, 2024
Lessons learned during the journey of data: from experiment to model for predicting kinase affinity, selectivity, polypharmacology, and resistance
Sep 10, 2024
Sep 10, 2024
espaloma-0.3.jpg
Jun 26, 2024
Machine-learned molecular mechanics force fields from large-scale quantum chemical data
Jun 26, 2024
Jun 26, 2024

RECENT NEWS

Featured
2025-05-16 Foundry Breakthrough Research poster - thumbnail.jpg
May 19, 2025
ML Foundry AI for Science Symposium
May 19, 2025
May 19, 2025
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

RECENT TWEETS