2 code implementations • 1 Sep 2020 • Carlos Oliver, Vincent Mallet, Pericles Philippopoulos, William L. Hamilton, Jerome Waldispuhl
State of the art methods solve special cases of the motif problem by constraining the structural variability in occurrences of a motif, and narrowing the substructure search space.
no code implementations • 28 May 2019 • Vincent Mallet, Carlos G. Oliver, Nicolas Moitessier, Jerome Waldispuhl
We use the 3D structure of the binding site as input to a model which predicts the ligand preferences of the binding site.