Scott Legrand, Aaron Scheinberg, Andreas F. Tillack, Mathialakan Thavappiragasam, Josh V. Vermaas, Rupesh Agarwal, Jeff Larkin, Duncan Poole, Diogo Santos-Martins, Leonardo Solis-Vasquez, Andreas Koch 0001, Stefano Forli, Oscar R. Hernandez, Jeremy C. Smith, Ada Sedova. GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research. In BCB '20: 11th ACM International Conference on Bioinformatics, Computational Biology and Health Informatics, Virtual Event, USA, September 21-24, 2020. ACM, 2020. [doi]
@inproceedings{LeGrandSTTVALPS20,
title = {GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research},
author = {Scott Legrand and Aaron Scheinberg and Andreas F. Tillack and Mathialakan Thavappiragasam and Josh V. Vermaas and Rupesh Agarwal and Jeff Larkin and Duncan Poole and Diogo Santos-Martins and Leonardo Solis-Vasquez and Andreas Koch 0001 and Stefano Forli and Oscar R. Hernandez and Jeremy C. Smith and Ada Sedova},
year = {2020},
doi = {10.1145/3388440.3412472},
url = {https://doi.org/10.1145/3388440.3412472},
researchr = {https://researchr.org/publication/LeGrandSTTVALPS20},
cites = {0},
citedby = {0},
booktitle = {BCB '20: 11th ACM International Conference on Bioinformatics, Computational Biology and Health Informatics, Virtual Event, USA, September 21-24, 2020},
publisher = {ACM},
isbn = {978-1-4503-7964-9},
}