@misc{indiciae0c888b30f034, title = {GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research}, author = {LeGrand, Scott and Scheinberg, Aaron and Tillack, Andreas F. and Thavappiragasam, Mathialakan and Vermaas, Josh and Agarwal, Rupesh and Larkin, Jeff and Poole, Duncan and Santos-Martins, Diogo and Solis-Vasquez, Leonardo and Koch, Andreas and Forli, Stefano and Hernandez Mendoza, Oscar and Smith, Jeremy and Sedova, Ada}, year = {2020}, doi = {10.1145/3388440.3412472}, url = {https://www.osti.gov/biblio/1775240}, note = {Source identifier: 1775240} }