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Chemical Science|March 1, 2024
PoseBusters: AI-based docking methods fail to generate physically valid poses or generalise to novel sequencesMartin Buttenschoen, Garrett M Morris, Charlotte M DeaneJournal of Cheminformatics|March 15, 2024
Learnt representations of proteins can be used for accurate prediction of small molecule binding sites on experimentally determined and predicted protein structuresAnna Carbery, Martin Buttenschoen, Rachael Skyner, et al.Patterns (New York, N.Y.)|April 20, 2026
Organizing across disciplines to tackle shared computational challengesWojtek Treyde, Aleksy Kwiatkowski, Jascha Achterberg, et al.Pageof 1