Virtual screening and molecular dynamics simulation study of plant-derived compounds to identify potential inhibitors of main protease from SARS-CoV-2

Shafi Mahmud, Mohammad Abu Raihan Uddin, Gobindo Kumar Paul, Sharmin Sultana Shimu, Saiful Islam, Ekhtiar Rahman, Ariful Islam, Md Samiul Islam, Maria Meha Promi, Talha Bin Emran, Md Abu Saleh. Virtual screening and molecular dynamics simulation study of plant-derived compounds to identify potential inhibitors of main protease from SARS-CoV-2. Briefings in Bioinformatics, 22(2):1402-1414, 2021. [doi]

@article{MahmudUPSIRIIPE21,
  title = {Virtual screening and molecular dynamics simulation study of plant-derived compounds to identify potential inhibitors of main protease from SARS-CoV-2},
  author = {Shafi Mahmud and Mohammad Abu Raihan Uddin and Gobindo Kumar Paul and Sharmin Sultana Shimu and Saiful Islam and Ekhtiar Rahman and Ariful Islam and Md Samiul Islam and Maria Meha Promi and Talha Bin Emran and Md Abu Saleh},
  year = {2021},
  doi = {10.1093/bib/bbaa428},
  url = {https://doi.org/10.1093/bib/bbaa428},
  researchr = {https://researchr.org/publication/MahmudUPSIRIIPE21},
  cites = {0},
  citedby = {0},
  journal = {Briefings in Bioinformatics},
  volume = {22},
  number = {2},
  pages = {1402-1414},
}