Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE J. Chem. Inf. Model. 2026, 66, 11, 6429–6452 Computational binding affinity calculations comprise an important and increasingly accessible component of small molecule drug discovery; transparent assessment of tool performance at scale is therefore essential for practitioners and developers alike. This article comprehensively

Binding Free Energy Calculations for Drug Discovery- June 2026
Pippa Scott


