Nat Comput Sci

Rapid traversal of vast chemical space using machine learning-guided docking screens.

Luttens A, Cabeza de Vaca I, Sparring L, ..., Norinder U, Carlsson J

Nat Comput Sci 5 (4) 301-312 [2025-04-00; online 2025-03-13]

Andreas Luttens DDLS Fellow Jens Carlsson SciLifeLab Fellow

MassiveFold: unveiling AlphaFold's hidden potential with optimized and parallelized massive sampling.

Raouraoua N, Mirabello C, Véry T, ..., Lensink MF, Brysbaert G

Nat Comput Sci 4 (11) 824-828 [2024-11-00; online 2024-11-11]