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Journal of Biomolecular Structure and Dynamics Volume 39, 2021 - Issue 5

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Identification of new potential cyclooxygenase-2 inhibitors: insight from high throughput virtual screening of 18 million compounds combined with molecular dynamic simulation and quantum mechanics

Leily Heidarpoor Saremia Department of Chemistry, Computational Quantum Chemistry Laboratory, University of Sistan and Baluchestan, Zahedan, Iran

https://orcid.org/0000-0001-5073-4633 View further author information

Ali Ebrahimia Department of Chemistry, Computational Quantum Chemistry Laboratory, University of Sistan and Baluchestan, Zahedan, IranView further author information

Milad Lagzianb Department of Biology, Faculty of Sciences, University of Sistan and Baluchestan, Zahedan, IranCorrespondence[email protected]

https://orcid.org/0000-0002-6495-8774 View further author information

Pages 1717-1734 | Received 05 Feb 2020, Accepted 26 Feb 2020, Published online: 11 Mar 2020

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https://doi.org/10.1080/07391102.2020.1737574
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