标题/作者	年份
Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment S Boopathi, AB Poma, P Kolandaivel Journal of Biomolecular Structure and Dynamics 39 (9), 3409-3418	2021
Drug repurposing approach to fight COVID-19 TU Singh, S Parida, MC Lingaraju, M Kesavan, D Kumar, RK Singh Pharmacological Reports 72, 1479-1508	2020
An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study S Das, S Sarmah, S Lyndem, A Singha Roy Journal of Biomolecular Structure and Dynamics 39 (9), 3347-3357	2021
Drug repurposing for coronavirus (COVID-19): in silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes AD Elmezayen, A Al-Obaidi, AT Şahin, K Yelekçi Journal of Biomolecular Structure and Dynamics 39 (8), 2980-2992	2021
Andrographolide as a potential inhibitor of SARS-CoV-2 main protease: an in silico approach SK Enmozhi, K Raja, I Sebastine, J Joseph Journal of Biomolecular Structure and Dynamics 39 (9), 3092-3098	2021
SARS-CoV-2 RNA dependent RNA polymerase (RdRp) targeting: An in silico perspective AA Elfiky Journal of Biomolecular Structure and Dynamics 39 (9), 3204-3212	2021
Discovery of potential multi-target-directed ligands by targeting host-specific SARS-CoV-2 structurally conserved main protease RS Joshi, SS Jagdale, SB Bansode, SS Shankar, MB Tellis, VK Pandya, ... Journal of Biomolecular Structure and Dynamics 39 (9), 3099-3114	2021
Using X-ray images and deep learning for automated detection of coronavirus disease K El Asnaoui, Y Chawki Journal of Biomolecular Structure and Dynamics 39 (10), 3615-3626	2021
A molecular modeling approach to identify effective antiviral phytochemicals against the main protease of SARS-CoV-2 R Islam, MR Parves, AS Paul, N Uddin, MS Rahman, AA Mamun, ... Journal of Biomolecular Structure and Dynamics 39 (9), 3213-3224	2021
Targeting COVID-19 (SARS-CoV-2) main protease through active phytochemicals of ayurvedic medicinal plants–Withania somnifera (Ashwagandha), Tinospora cordifolia (Giloy) and Ocimum sanctum (Tulsi)–a molecular docking study P Shree, P Mishra, C Selvaraj, SK Singh, R Chaube, N Garg, YB Tripathi Journal of Biomolecular Structure and Dynamics 40 (1), 190-203	2022
Stilbene-based natural compounds as promising drug candidates against COVID-19 HM Wahedi, S Ahmad, SW Abbasi Journal of Biomolecular Structure and Dynamics 39 (9), 3225-3234	2021
Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an in silico study for drug development P Pandey, JS Rane, A Chatterjee, A Kumar, R Khan, A Prakash, S Ray Journal of Biomolecular Structure and Dynamics 39 (16), 6306-6316	2021
Potential inhibitors of coronavirus 3-chymotrypsin-like protease (3CLpro): an in silico screening of alkaloids and terpenoids from African medicinal plants GA Gyebi, OB Ogunro, AP Adegunloye, OM Ogunyemi, SO Afolabi Journal of Biomolecular Structure and Dynamics 39 (9), 3396-3408	2021
Natural products may interfere with SARS-CoV-2 attachment to the host cell AA Elfiky Journal of Biomolecular Structure and Dynamics 39 (9), 3194-3203	2021
COVID-19 and SARS-CoV-2. Modeling the present, looking at the future E Estrada Physics Reports 869, 1-51	2020
In silico study the inhibition of angiotensin converting enzyme 2 receptor of COVID-19 by Ammoides verticillata components harvested from Western Algeria I Abdelli, F Hassani, S Bekkel Brikci, S Ghalem Journal of Biomolecular Structure and Dynamics 39 (9), 3263-3276	2021
Withanone and caffeic acid phenethyl ester are predicted to interact with main protease (Mpro) of SARS-CoV-2 and inhibit its activity V Kumar, JK Dhanjal, SC Kaul, R Wadhwa, D Sundar Journal of Biomolecular Structure and Dynamics 39 (11), 3842-3854	2021
Identification of novel compounds against three targets of SARS CoV-2 coronavirus by combined virtual screening and supervised machine learning O Kadioglu, M Saeed, HJ Greten, T Efferth Computers in biology and medicine 133, 104359	2021
Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach L Mittal, A Kumari, M Srivastava, M Singh, S Asthana Journal of Biomolecular Structure and Dynamics 39 (10), 3662-3680	2021
An in-silico evaluation of different Saikosaponins for their potency against SARS-CoV-2 using NSP15 and fusion spike glycoprotein as targets SK Sinha, A Shakya, SK Prasad, S Singh, NS Gurav, RS Prasad, ... Journal of Biomolecular Structure and Dynamics 39 (9), 3244-3255	2021

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