SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-prediction. - Harold Grosjean; Mehtap Isik; Anthony Aimon; David L. Mobley; John D. Chodera; Frank von Delft; Philip C. Biggin (J. Comput. Aided Mol. Des., 2022)

A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening. - Jack Scantlebury; Lucy Vost; Anna Carbery; Thomas E. Hadfield; Oliver M. Turnbull; Nathan Brown; Vijil Chenthamarakshan; Payel Das; Harold Grosjean; Frank von Delft; Charlotte M. Deane (J. Chem. Inf. Model., 2023)