@article{gpuaccelerateddrugdiscoverywithdocking,
  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 and Stefano Forli and Oscar Hernandez and Jeremy C. Smith and Ada Sedova},
  year = {2020},
  eprint = {2007.03678},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2007.03678v1},
}