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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 6
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Research Articles

In-silico investigation of some recent natural compounds for their potential use against SARS-CoV-2: a DFT, molecular docking and molecular dynamics study

Taner ErdoganDepartment of Chemistry and Chemical Processing Technologies, Kocaeli Vocational School, Kocaeli University, Kocaeli, TurkeyCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0001-7294-0331View further author information
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Pages 2448-2465 | Received 25 Sep 2021, Accepted 19 Jan 2022, Published online: 28 Jan 2022

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Alhanouf I. Al-Harbi, Asad Ullah, Taghreed N. Almanaa, Farah Gul, Saifullah Khan, Yasir Waheed, Mahboob Ul Haq, Riaz Muhammad, Muhammad Khurram, Ameen Ullah & Sajjad Ahmad. (2023) A chemoinformatic-biophysics based approach to identify novel anti-virulent compounds against Pseudomonas aeruginosa disulfide-bond protein A1. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-10.
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