DOVIS: an implementation for high-throughput virtual screening using AutoDock

@article{Zhang2007DOVISAI,
  title={DOVIS: an implementation for high-throughput virtual screening using AutoDock},
  author={Shuxing Zhang and Kamal Kumar and Xiaohui Jiang and Anders Wallqvist and Jaques Reifman},
  journal={BMC Bioinformatics},
  year={2007},
  volume={9},
  pages={126 - 126}
}
Molecular-docking-based virtual screening is an important tool in drug discovery that is used to significantly reduce the number of possible chemical compounds to be investigated. In addition to the selection of a sound docking strategy with appropriate scoring functions, another technical challenge is to in silico screen millions of compounds in a reasonable time. To meet this challenge, it is necessary to use high performance computing (HPC) platforms and techniques. However, the development… CONTINUE READING