GPU-optimized approaches to molecular docking-based virtual screening in drug discovery: A comparative analysis

Emanuele Vitali, Federico Ficarelli, Mauro Bisson, Davide Gadioli, Gianmarco Accordi, Massimiliano Fatica, Andrea Rosario Beccari, Gianluca Palermo. GPU-optimized approaches to molecular docking-based virtual screening in drug discovery: A comparative analysis. J. Parallel Distrib. Comput., 186:104819, April 2024. [doi]

@article{VitaliFBGAFBP24,
  title = {GPU-optimized approaches to molecular docking-based virtual screening in drug discovery: A comparative analysis},
  author = {Emanuele Vitali and Federico Ficarelli and Mauro Bisson and Davide Gadioli and Gianmarco Accordi and Massimiliano Fatica and Andrea Rosario Beccari and Gianluca Palermo},
  year = {2024},
  month = {April},
  doi = {10.1016/j.jpdc.2023.104819},
  url = {https://doi.org/10.1016/j.jpdc.2023.104819},
  researchr = {https://researchr.org/publication/VitaliFBGAFBP24},
  cites = {0},
  citedby = {0},
  journal = {J. Parallel Distrib. Comput.},
  volume = {186},
  pages = {104819},
}