The assessment of computationally derived protein ensembles in protein-ligand docking. - Barbara Sander; Oliver Korb; Jason C. Cole; Jonathan W. Essex (J. Cheminformatics, 2012)

How to pick a winning team: approaches towards the selection of computationally derived protein structures for ensemble-based virtual screening. - Barbara Sander; Oliver Korb; Jason C. Cole; Jonathan W. Essex (J. Cheminformatics, 2013)

Exploiting solvent effects in drug design and optimization. - Jean-François Truchon; Kristina Grabowski; Barbara Sander; Alain Ajamian (J. Cheminformatics, 2014)