Gorgulla C, Boeszoermenyi A, Wang ZF, Fischer PD, Coote PW, Padmanabha Das KM, Malets YS, Radchenko DS, Moroz YS, Scott DA, Fackeldey K, Hoffmann M, Iavniuk I, Wagner G, Arthanari H.

Nature. 2020 Apr;580(7805):663-668. doi:10.1038/s41586-020-2117-z

An open-source drug discovery platform enables ultra-large virtual screens.

“VirtualFlow can dock 1 billion compounds in approximately 2 weeks when leveraging 10,000 CPU cores simultaneously.”