BiophysicsbioRxiv
Docking for molecules that bind in a symmetric stack with SymDOCK
M. S. Smith, I. S. Knight, R. C. Kormos…·B. K. Shoichet
SymDOCK is a docking method that exploits symmetry in amyloid fibrils to predict ligand stacking, successfully reproducing known structures and predicting a new one before its determination.
DOI 10.1021/acs.jcim.3c01749