1. Large-scale binding affinity calculations on commodity compute clouds. Issue 6 (6th December 2020) Authors: Zasada, S. J.; Wright, D. W.; Coveney, P. V. Journal: Interface focus Issue: Volume 10:Issue 6(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. VECMAtk: a scalable verification, validation and uncertainty quantification toolkit for scientific simulations. (29th March 2021) Authors: Groen, D.; Arabnejad, H.; Jancauskas, V.; Edeling, W. N.; Jansson, F.; Richardson, R. A.; Lakhlili, J.; Veen, L.; Bosak, B.; Kopta, P.; Wright, D. W.; Monnier, N.; Karlshoefer, P.; Suleimenova, D.; Sinclair, R.; Vassaux, M.; Nikishova, A.; Bieniek, M.; Luk, Onnie O.; Kulczewski, M. Journal: Philosophical transactions Issue: Volume 379:Number 2197(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗