Computational approach investigation bioactive molecules from Saussurea Costus plant as SARS-CoV-2 main protease inhibitors using reverse docking, molecular dynamics simulation, and pharmacokinetic ADMET parameters.

Hajji H, Alaqarbeh M, Lakhlifi T, Ajana MA, Alsakhen N, Bouachrine M

Open source

DOI
10.1016/j.compbiomed.2022.106209
Published
2022 Nov
Container
Computers in biology and medicine
Publisher
Not recorded
Open access
yes

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BibTeX

@article{allodium:10.1016/j.compbiomed.2022.106209,
  title = {Computational approach investigation bioactive molecules from Saussurea Costus plant as SARS-CoV-2 main protease inhibitors using reverse docking, molecular dynamics simulation, and pharmacokinetic ADMET parameters.},
  author = {Hajji H and Alaqarbeh M and Lakhlifi T and Ajana MA and Alsakhen N and Bouachrine M},
  year = {2022},
  journal = {Computers in biology and medicine},
  doi = {10.1016/j.compbiomed.2022.106209},
  url = {https://doi.org/10.1016/j.compbiomed.2022.106209}
}

RIS

TY  - JOUR
TI  - Computational approach investigation bioactive molecules from Saussurea Costus plant as SARS-CoV-2 main protease inhibitors using reverse docking, molecular dynamics simulation, and pharmacokinetic ADMET parameters.
AU  - Hajji H
AU  - Alaqarbeh M
AU  - Lakhlifi T
AU  - Ajana MA
AU  - Alsakhen N
AU  - Bouachrine M
PY  - 2022
JO  - Computers in biology and medicine
DO  - 10.1016/j.compbiomed.2022.106209
UR  - https://doi.org/10.1016/j.compbiomed.2022.106209
ER  - 

APA

H, H., M, A., T, L., MA, A., N, A., & M, B. (2022). Computational approach investigation bioactive molecules from Saussurea Costus plant as SARS-CoV-2 main protease inhibitors using reverse docking, molecular dynamics simulation, and pharmacokinetic ADMET parameters.. Computers in biology and medicine. https://doi.org/10.1016/j.compbiomed.2022.106209

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