John D Chodera

72PUBLICATIONS
294CO-AUTHORS
Medical virologyBiomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsComputational chemistryBioinformatic methods development
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Publications (72)

|Jul 09, 2026
Linking biochemical and cellular efficacy of MERS coronavirus main protease inhibitors.

|May 25, 2026
Mapping the avoid-ome: a systematic open-science approach to predictive ADMET.

|May 21, 2026
Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE.

|Apr 21, 2026
Developing and Benchmarking Sage 2.3.0 with the AshGC Neural Network Charge Model.

|Feb 27, 2026
Linking biochemical and cellular efficacy of MERS coronavirus main protease inhibitors.

Van N T La, Noa Lahav, Mario Rodriguez

|Feb 26, 2026
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data.

Hugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum

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Frequent Collaborators

18 joint publications

David Mobley

11 joint publications

Michael R Shirts

9 joint publications

Iván Pulido

7 joint publications

Sukrit Singh