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Journal of Chemical Information and Modeling|May 21, 2026
Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFEHannah M Baumann, Joshua T Horton, Michael M Henry, et al.The Journal of Chemical Physics|December 2, 2021
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programsDaniel G A Smith, Annabelle T Lolinco, Zachary L Glick, et al.Science (New York, N.Y.)|December 22, 1995
An STS-based map of the human genomeT J Hudson, L D Stein, S S Gerety, et al.Journal of Chemical Information and Modeling|June 20, 2025
CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13Oleksandra Herasymenko, Madhushika Silva, Abd Al-Aziz A Abu-Saleh, et al.Journal of Chemical Information and Modeling|February 26, 2026
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery DataHugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum, et al.Pageof 6