@misc{indiciae8ab91404f025,
  title = {Integrated data-driven and experimental approaches to accelerate lead optimization targeting SARS-CoV- 2 main protease},
  author = {Varikoti, Rohith Anand and Schultz, Katherine J. and Kombala, Chathuri J. and Kruel, Agustin and Brandvold, Kristoffer R. and Zhou, Mowei and Kumar, Neeraj},
  year = {2023},
  doi = {10.1007/s10822-023-00509-1},
  url = {https://www.osti.gov/biblio/1988119},
  note = {Source identifier: 1988119}
}