Comp Chem Paper of the Month – June 2026: Binding Free Energy Calculations for Drug Discovery
Pippa Scott2026-06-15T13:58:27+00:00Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE J.
An Automated Workflow for Diagnosing Sampling Issues Caused by Slow Torsional Motions in Molecular Simulations- Paper of the month May 2026
Pippa Scott2026-06-17T14:42:52+00:00An Automated Workflow for Diagnosing Sampling Issues Caused by Slow Torsional Motions in Molecular
Structure-Guided Discovery of Selective Polo-Like Kinase 3 inhibitors – Paper of the Month May 2026
Pippa Scott2026-06-17T14:30:28+00:00Structure-Guided Discovery of Selective Polo-Like Kinase 3 inhibitors ACS Med. Chem. Lett. 2026
The release of OpenBind’s first public data set
Pippa Scott2026-05-21T10:22:59+00:00The release of OpenBind's first public data set The UK-led OpenBind project has
