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
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
COVID-19: drug targets and potential treatments C Gil, T Ginex, I Maestro, V Nozal, L Barrado-Gil, MÁ Cuesta-Geijo, ... Journal of medicinal chemistry 63 (21), 12359-12386	2020
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
Structural proteins in severe acute respiratory syndrome coronavirus-2 S Satarker, M Nampoothiri Archives of medical research 51 (6), 482-491	2020
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
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
Molecular docking study of potential phytochemicals and their effects on the complex of SARS-CoV2 spike protein and human ACE2 A Basu, A Sarkar, U Maulik Scientific reports 10 (1), 17699	2020
Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approaches A Kumar, G Choudhir, SK Shukla, M Sharma, P Tyagi, A Bhushan, ... Journal of Biomolecular Structure and Dynamics 39 (10), 3760-3770	2021
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
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
Identification of new anti-nCoV drug chemical compounds from Indian spices exploiting SARS-CoV-2 main protease as target Umesh, D Kundu, C Selvaraj, SK Singh, VK Dubey Journal of Biomolecular Structure and Dynamics 39 (9), 3428-3434	2021
In silico identification of potential inhibitors from Cinnamon against main protease and spike glycoprotein of SARS CoV-2 D Prasanth, M Murahari, V Chandramohan, SP Panda, LR Atmakuri, ... Journal of Biomolecular Structure and Dynamics 39 (13), 4618-4632	2021
Plants metabolites: possibility of natural therapeutics against the COVID-19 pandemic FR Bhuiyan, S Howlader, T Raihan, M Hasan Frontiers in Medicine 7, 444	2020
Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease C Shivanika, D Kumar, V Ragunathan, P Tiwari, A Sumitha Journal of biomolecular structure & dynamics, 1	2020

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