52 citations · 62 across the 3 of their papers we have counts for
3 papers · 1 filter
Enhancing Ligand Pose Sampling for Molecular Docking
Patricia Suriana, Ron O. Dror
Deep learning promises to dramatically improve scoring functions for molecular docking, leading to substantial advances in binding pose prediction and virtual screening. To train s…
Hierarchical, rotation-equivariant neural networks to select structural models of protein complexes
Stephan Eismann, Raphael J. L. Townshend, Nathaniel Thomas +3
Predicting the structure of multi-protein complexes is a grand challenge in biochemistry, with major implications for basic science and drug discovery. Computational structure pred…
End-to-End Learning on 3D Protein Structure for Interface Prediction
Raphael J. L. Townshend, Rishi Bedi, Patricia A. Suriana +1
Despite an explosion in the number of experimentally determined, atomically detailed structures of biomolecules, many critical tasks in structural biology remain data-limited. Whet…