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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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Nusrat Shafiq, Aqsa Jannat, Huma Munir, Maryam Rashid & Shagufta Parveen. (2023) Exploring the potential of FDA approved anti-diabetic drugs for repurposing against COVID-19: a core combination of multiple computational strategies and integrated artificial intelligence. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-21.
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N. R. Jena & Suyash Pant. (2023) Peptide inhibitors derived from the nsp7 and nsp8 cofactors of nsp12 targeting different substrate binding sites of nsp12 of the SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-13.
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Abhishek Kumar Verma, Md. Shahadat Hossain, SK. Faisal Ahmed, Nasir Hussain, Mohammad Ashid, Sudhir K. Upadhyay, Naveen Kumar Vishvakarma, Ali Asger Bhojiya & Sandeep Kumar Srivastava. (2023) “In silico identification of ethoxy phthalimide pyrazole derivatives as IL-17A and IL-18 targeted gouty arthritis agents”. Journal of Biomolecular Structure and Dynamics 41:10, pages 4681-4695.
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Neha Kansal, Pravin Garg & Omendra Singh. (2023) Temperature-Based Topological Indices and QSPR Analysis of COVID-19 Drugs. Polycyclic Aromatic Compounds 43:5, pages 4148-4169.
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Neda Fayyazi, Tahereh Mostashari-Rad, Jahan B. Ghasemi, Mehran Mirabzadeh Ardakani & Farzad Kobarfard. (2022) Molecular dynamics simulation, 3D-pharmacophore and scaffold hopping analysis in the design of multi-target drugs to inhibit potential targets of COVID-19. Journal of Biomolecular Structure and Dynamics 40:22, pages 11787-11808.
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Abhishek Kumar Verma, Sk. Faisal Ahmed, Md. Shahadat Hossain, Ali Asger Bhojiya, Ankita Mathur, Sudhir K. Upadhyay, Abhishek K. Srivastava, Naveen Kumar Vishvakarma, Mayadhar Barik, Md. Mizanur Rahaman & Newaz Mohammed Bahadur. (2022) Molecular docking and simulation studies of flavonoid compounds against PBP-2a of methicillin‐resistant Staphylococcus aureus . Journal of Biomolecular Structure and Dynamics 40:21, pages 10561-10577.
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Venkatramanan Varadharajan, Gokulakrishnan Sivasundari Arumugam & Sethupathi Shanmugam. (2022) Isatin-based virtual high throughput screening, molecular docking, DFT, QM/MM, MD and MM-PBSA study of novel inhibitors of SARS-CoV-2 main protease. Journal of Biomolecular Structure and Dynamics 40:17, pages 7852-7867.
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Dennis C. Copertino$suffix/text()$suffix/text(), Bruno C. Casado Lima, Rodrigo R. R. Duarte, Timothy R. Powell, Christopher E. Ormsby, Timothy Wilkin, Roy M. Gulick, Miguel de Mulder Rougvie & Douglas F. Nixon. (2022) Antiretroviral drug activity and potential for pre-exposure prophylaxis against COVID-19 and HIV infection. Journal of Biomolecular Structure and Dynamics 40:16, pages 7367-7380.
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Shiv Rakesh Naik, Prashant Bharadwaj, Nadia Dingelstad, Subha Kalyaanamoorthy, Subhash C Mandal, Aravindhan Ganesan, Debprasad Chattopadhyay & Partha Palit. (2022) Structure-based virtual screening, molecular dynamics and binding affinity calculations of some potential phytocompounds against SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 40:15, pages 6921-6938.
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N. R. Jena, Suyash Pant & Hemant Kumar Srivastava. (2022) Artificially expanded genetic information systems (AEGISs) as potent inhibitors of the RNA-dependent RNA polymerase of the SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 40:14, pages 6381-6397.
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Özge Çolakoğlu Havare. (2022) Quantitative Structure Analysis of Some Molecules in Drugs Used in the Treatment of COVID-19 with Topological Indices. Polycyclic Aromatic Compounds 42:8, pages 5249-5260.
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Anchala Kumari, Vikrant Singh Rajput, Priya Nagpal, Himanshi Kukrety, Sonam Grover & Abhinav Grover. (2022) Dual inhibition of SARS-CoV-2 spike and main protease through a repurposed drug, rutin. Journal of Biomolecular Structure and Dynamics 40:11, pages 4987-4999.
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Venkateshwaran Thamaraiselvan & Ravichandiran Velayutham. (2022) The putative binding site and SAR rationalization of small molecules against glucagon-like peptide-1 receptor using homology model and crystal structures: a comparative study. Journal of Biomolecular Structure and Dynamics 40:5, pages 2038-2052.
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Mohamed A. Hendaus & Fatima A. Jomha. (2022) From COVID-19 to clot: the involvement of the complement system. Journal of Biomolecular Structure and Dynamics 40:4, pages 1909-1914.
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Heba Ali Hassan, Usama Ramadan Abdelmohsen, Omar M. Aly, Samar Y. Desoukey, Khaled M. Mohamed & Mohamed S. Kamel. (2022) Potential of Ficus microcarpa metabolites against SARS-CoV-2 main protease supported by docking studies. Natural Product Research 36:4, pages 994-998.
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Shubhangi Kandwal & Darren Fayne. (2022) Repurposing drugs for treatment of SARS-CoV-2 infection: computational design insights into mechanisms of action. Journal of Biomolecular Structure and Dynamics 40:3, pages 1316-1330.
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Shivanika C, Deepak Kumar S.Venkataraghavan Ragunathan, Pawan Tiwari, Sumitha A.Brindha Devi P. (2022) Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease. Journal of Biomolecular Structure and Dynamics 40:2, pages 585-611.
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Zouhair Elkarhat, Hicham Charoute, Lamiae Elkhattabi, Abdelhamid Barakat & Hassan Rouba. (2022) Potential inhibitors of SARS-cov-2 RNA dependent RNA polymerase protein: molecular docking, molecular dynamics simulations and MM-PBSA analyses. Journal of Biomolecular Structure and Dynamics 40:1, pages 361-374.
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Vipul Kumar, Jaspreet Kaur Dhanjal, Priyanshu Bhargava, Ashish Kaul, Jia Wang, Huayue Zhang, Sunil C. Kaul, Renu Wadhwa & Durai Sundar. (2022) Withanone and Withaferin-A are predicted to interact with transmembrane protease serine 2 (TMPRSS2) and block entry of SARS-CoV-2 into cells. Journal of Biomolecular Structure and Dynamics 40:1, pages 1-13.
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Soumita Mukherjee, Subrata Dasgupta, Tapasendra Adhikary, Utpal Adhikari & Sujit Sankar Panja. (2021) Structural insight to hydroxychloroquine-3C-like proteinase complexation from SARS-CoV-2: inhibitor modelling study through molecular docking and MD-simulation study. Journal of Biomolecular Structure and Dynamics 39:18, pages 7322-7334.
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Viswanathan Vijayan, Pradeep Pant, Naval Vikram, Punit Kaur, T. P. Singh, Sujata Sharma & Pradeep Sharma. (2021) Identification of promising drug candidates against NSP16 of SARS-CoV-2 through computational drug repurposing study. Journal of Biomolecular Structure and Dynamics 39:17, pages 6713-6727.
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Nizar A. Al-Shar’i. (2021) Tackling COVID-19: identification of potential main protease inhibitors via structural analysis, virtual screening, molecular docking and MM-PBSA calculations. Journal of Biomolecular Structure and Dynamics 39:17, pages 6689-6704.
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Pradeep Sharma, Viswanathan Vijayan, Pradeep Pant, Mohita Sharma, Naval Vikram, Punit Kaur, T. P. Singh & Sujata Sharma. (2021) Identification of potential drug candidates to combat COVID-19: a structural study using the main protease (mpro) of SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 39:17, pages 6649-6659.
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Nima Razzaghi-Asl, Ahmad Ebadi, Sara Shahabipour & Danial Gholamin. (2021) Identification of a potential SARS-CoV2 inhibitor via molecular dynamics simulations and amino acid decomposition analysis. Journal of Biomolecular Structure and Dynamics 39:17, pages 6633-6648.
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Preeti Pandey, Jitendra Subhash Rane, Aroni Chatterjee, Abhijeet Kumar, Rajni Khan, Amresh Prakash & Shashikant Ray. (2021) Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an in silico study for drug development. Journal of Biomolecular Structure and Dynamics 39:16, pages 6306-6316.
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Shafi Mahmud, Mohammad Abu Raihan Uddin, Meemtaheena Zaman, Khaled Mahmud Sujon, Md. Ekhtiar Rahman, Mobasshir Noor Shehab, Ariful Islam, Md. Wasim Alom, Al Amin, Al Shahriar Akash & Md. Abu Saleh. (2021) Molecular docking and dynamics study of natural compound for potential inhibition of main protease of SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 39:16, pages 6281-6289.
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Sinthyia Ahmed, Rumana Mahtarin, Sayeda Samina Ahmed, Shaila Akter, Md. Shamiul Islam, Abdulla Al Mamun, Rajib Islam, Md Nayeem Hossain, Md Ackas Ali, Mossammad U. C. Sultana, MD. Rimon Parves, M. Obayed Ullah & Mohammad A. Halim. (2021) Investigating the binding affinity, interaction, and structure-activity-relationship of 76 prescription antiviral drugs targeting RdRp and Mpro of SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 39:16, pages 6290-6305.
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Devashan Naidoo, Ayan Roy, Pallab Kar, Taurai Mutanda & Akash Anandraj. (2021) Cyanobacterial metabolites as promising drug leads against the Mpro and PLpro of SARS-CoV-2: an in silico analysis. Journal of Biomolecular Structure and Dynamics 39:16, pages 6218-6230.
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Jitendra Subhash Rane, Preeti Pandey, Aroni Chatterjee, Rajni Khan, Abhijeet Kumar, Amresh Prakash & Shashikant Ray. (2021) Targeting virus–host interaction by novel pyrimidine derivative: an in silico approach towards discovery of potential drug against COVID-19. Journal of Biomolecular Structure and Dynamics 39:15, pages 5768-5778.
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Gabriela de Lima Menezes & Roosevelt Alves da Silva. (2021) Identification of potential drugs against SARS-CoV-2 non-structural protein 1 (nsp1). Journal of Biomolecular Structure and Dynamics 39:15, pages 5657-5667.
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Alexander M. Andrianov, Yuri V. Kornoushenko, Anna D. Karpenko, Ivan P. Bosko & Alexander V. Tuzikov. (2021) Computational discovery of small drug-like compounds as potential inhibitors of SARS-CoV-2 main protease. Journal of Biomolecular Structure and Dynamics 39:15, pages 5779-5791.
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Shruti Koulgi, Vinod Jani, Mallikarjunachari Uppuladinne, Uddhavesh Sonavane, Asheet Kumar Nath, Hemant Darbari & Rajendra Joshi. (2021) Drug repurposing studies targeting SARS-CoV-2: an ensemble docking approach on drug target 3C-like protease (3CLpro). Journal of Biomolecular Structure and Dynamics 39:15, pages 5735-5755.
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Manish Kumar Tripathi, Pushpendra Singh, Sujata Sharma, Tej P. Singh, A. S. Ethayathulla & Punit Kaur. (2021) Identification of bioactive molecule from Withania somnifera (Ashwagandha) as SARS-CoV-2 main protease inhibitor. Journal of Biomolecular Structure and Dynamics 39:15, pages 5668-5681.
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Abdullah G. Al-Sehemi, Mehboobali Pannipara, Rishikesh S. Parulekar, Omkar Patil, Prafulla B. Choudhari, M. S. Bhatia, P. K. Zubaidha & Yasinalli Tamboli. (2021) Potential of NO donor furoxan as SARS-CoV-2 main protease (Mpro) inhibitors: in silico analysis. Journal of Biomolecular Structure and Dynamics 39:15, pages 5804-5818.
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Santanu Sasidharan, Chandrabose Selvaraj, Sanjeev Kumar Singh, Vikash Kumar Dubey, Sachin Kumar, Arsenio M. Fialho & Prakash Saudagar. (2021) Bacterial protein azurin and derived peptides as potential anti-SARS-CoV-2 agents: insights from molecular docking and molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 39:15, pages 5706-5721.
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Iruthayaraj Ancy, Mugudeeswaran Sivanandam & Poomani Kumaradhas. (2021) Possibility of HIV-1 protease inhibitors-clinical trial drugs as repurposed drugs for SARS-CoV-2 main protease: a molecular docking, molecular dynamics and binding free energy simulation study. Journal of Biomolecular Structure and Dynamics 39:15, pages 5368-5375.
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Vankudavath Raju Naik, Manne Munikumar, Ungarala Ramakrishna, Medithi Srujana, Giridhar Goudar, Pittla Naresh, Boiroju Naveen Kumar & Rajkumar Hemalatha. (2021) Remdesivir (GS-5734) as a therapeutic option of 2019-nCOV main protease – in silico approach. Journal of Biomolecular Structure and Dynamics 39:13, pages 4701-4714.
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Pallab Kar, Neeta Raj Sharma, Bhupender Singh, Arnab Sen & Ayan Roy. (2021) Natural compounds from Clerodendrum spp. as possible therapeutic candidates against SARS-CoV-2: An in silico investigation. Journal of Biomolecular Structure and Dynamics 39:13, pages 4774-4785.
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Sk. Abdul Amin, Kalyan Ghosh, Shovanlal Gayen & Tarun Jha. (2021) Chemical-informatics approach to COVID-19 drug discovery: Monte Carlo based QSAR, virtual screening and molecular docking study of some in-house molecules as papain-like protease (PLpro) inhibitors. Journal of Biomolecular Structure and Dynamics 39:13, pages 4764-4773.
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K. G. Arun, C. S Sharanya, J. Abhithaj, Dileep Francis & C. Sadasivan. (2021) Drug repurposing against SARS-CoV-2 using E-pharmacophore based virtual screening, molecular docking and molecular dynamics with main protease as the target. Journal of Biomolecular Structure and Dynamics 39:13, pages 4647-4658.
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Elham Tazikeh-Lemeski, Sajad Moradi, Rahim Raoufi, Mohsen Shahlaei, Mehr Ali Mahmood Janlou & Samaneh Zolghadri. (2021) Targeting SARS-COV-2 non-structural protein 16: a virtual drug repurposing study. Journal of Biomolecular Structure and Dynamics 39:13, pages 4633-4646.
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D. S. N. B. K. Prasanth, Manikanta Murahari, Vivek Chandramohan, Siva Prasad Panda, Lakshmana Rao Atmakuri & Chakravarthi Guntupalli. (2021) In silico identification of potential inhibitors from Cinnamon against main protease and spike glycoprotein of SARS CoV-2. Journal of Biomolecular Structure and Dynamics 39:13, pages 4618-4632.
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Adnane Aouidate, Adib Ghaleb, Samir Chtita, Mohammed Aarjane, Abdellah Ousaa, Hamid Maghat, Abdelouahid Sbai, M’barek Choukrad, Mohammed Bouachrine & Tahar Lakhlifi. (2021) Identification of a novel dual-target scaffold for 3CLpro and RdRp proteins of SARS-CoV-2 using 3D-similarity search, molecular docking, molecular dynamics and ADMET evaluation. Journal of Biomolecular Structure and Dynamics 39:12, pages 4522-4535.
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Rohitash Yadav, Mohammed Imran, Puneet Dhamija, Kapil Suchal & Shailendra Handu. (2021) Virtual screening and dynamics of potential inhibitors targeting RNA binding domain of nucleocapsid phosphoprotein from SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 39:12, pages 4433-4448.
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Ashimiyu B. Durojaiye, John-Ross D. Clarke, George A. Stamatiades & Can Wang. (2021) Repurposing cefuroxime for treatment of COVID-19: a scoping review of in silico studies. Journal of Biomolecular Structure and Dynamics 39:12, pages 4547-4554.
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Mark Tristan J. Quimque, Kin Israel R. Notarte, Rey Arturo T. Fernandez, Mark Andrew O. Mendoza, Rhenz Alfred D. Liman, Justin Allen K. Lim, Luis Agustin E. Pilapil, Jehiel Karsten H. Ong, Adriel M. Pastrana, Abbas Khan, Dong-Qing Wei & Allan Patrick G. Macabeo. (2021) Virtual screening-driven drug discovery of SARS-CoV2 enzyme inhibitors targeting viral attachment, replication, post-translational modification and host immunity evasion infection mechanisms. Journal of Biomolecular Structure and Dynamics 39:12, pages 4316-4333.
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Muhammad Amin & Ghazanfar Abbas. (2021) Docking study of chloroquine and hydroxychloroquine interaction with RNA binding domain of nucleocapsid phospho-protein – an in silico insight into the comparative efficacy of repurposing antiviral drugs. Journal of Biomolecular Structure and Dynamics 39:12, pages 4243-4255.
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Sajjad Ahmad, Hyder Wajid Abbasi, Sara Shahid, Sana Gul & Sumra Wajid Abbasi. (2021) Molecular docking, simulation and MM-PBSA studies of nigella sativa compounds: a computational quest to identify potential natural antiviral for COVID-19 treatment. Journal of Biomolecular Structure and Dynamics 39:12, pages 4225-4233.
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Muhammad Hamza, Ashaq Ali, Suliman Khan, Saeed Ahmed, Zarlish Attique, Saad Ur Rehman, Ayesha Khan, Hussain Ali, Muhammad Rizwan, Anum Munir, Arshad Mehmood Khan, Faiza Siddique, Azhar Mehmood, Faisal Nouroz & Sajid Khan. (2021) nCOV-19 peptides mass fingerprinting identification, binding, and blocking of inhibitors flavonoids and anthraquinone of Moringa oleifera and hydroxychloroquine. Journal of Biomolecular Structure and Dynamics 39:11, pages 4089-4099.
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Firoz Anwar, Hisham N. Altayb, Fahad A. Al-Abbasi, Abdulrahman L. Al-Malki, Mohammad Amjad Kamal & Vikas Kumar. (2021) Antiviral effects of probiotic metabolites on COVID-19. Journal of Biomolecular Structure and Dynamics 39:11, pages 4175-4184.
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Vipul Kumar, Jaspreet Kaur Dhanjal, Sunil C. Kaul, Renu Wadhwa & Durai Sundar. (2021) Withanone and caffeic acid phenethyl ester are predicted to interact with main protease (Mpro) of SARS-CoV-2 and inhibit its activity. Journal of Biomolecular Structure and Dynamics 39:11, pages 3842-3854.
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Chinmayee Choudhury. (2021) Fragment tailoring strategy to design novel chemical entities as potential binders of novel corona virus main protease. Journal of Biomolecular Structure and Dynamics 39:10, pages 3733-3746.
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K. Abraham Peele, T. Srihansa, S. Krupanidhi, Vijaya Sai Ayyagari & T. C. Venkateswarulu. (2021) Design of multi-epitope vaccine candidate against SARS-CoV-2: a in-silico study. Journal of Biomolecular Structure and Dynamics 39:10, pages 3793-3801.
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Muhammad Tahir Khan, Arif Ali, Qiankun Wang, Muhammad Irfan, Abbas Khan, Muhammad Tariq Zeb, Yu-Juan Zhang, Sathishkumar Chinnasamy & Dong-Qing Wei. (2021) Marine natural compounds as potents inhibitors against the main protease of SARS-CoV-2—a molecular dynamic study. Journal of Biomolecular Structure and Dynamics 39:10, pages 3627-3637.
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Saurov Mahanta, Purvita Chowdhury, Neelutpal Gogoi, Nabajyoti Goswami, Debajit Borah, Rupesh Kumar, Dipak Chetia, Probodh Borah, Alak K. Buragohain & Bhaskarjyoti Gogoi. (2021) Potential anti-viral activity of approved repurposed drug against main protease of SARS-CoV-2: an in silico based approach. Journal of Biomolecular Structure and Dynamics 39:10, pages 3802-3811.
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Lovika Mittal, Anita Kumari, Mitul Srivastava, Mrityunjay Singh & Shailendra Asthana. (2021) Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach. Journal of Biomolecular Structure and Dynamics 39:10, pages 3662-3680.
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Abdul Basit, Tanveer Ali & Shafiq Ur Rehman. (2021) Truncated human angiotensin converting enzyme 2; a potential inhibitor of SARS-CoV-2 spike glycoprotein and potent COVID-19 therapeutic agent. Journal of Biomolecular Structure and Dynamics 39:10, pages 3605-3614.
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Md Fulbabu Sk, Rajarshi Roy, Nisha Amarnath Jonniya, Sayan Poddar & Parimal Kar. (2021) Elucidating biophysical basis of binding of inhibitors to SARS-CoV-2 main protease by using molecular dynamics simulations and free energy calculations. Journal of Biomolecular Structure and Dynamics 39:10, pages 3649-3661.
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Mohamed A. Hendaus. (2021) Remdesivir in the treatment of coronavirus disease 2019 (COVID-19): a simplified summary. Journal of Biomolecular Structure and Dynamics 39:10, pages 3787-3792.
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Alireza Paniri, Mohammad Mahdi Hosseini & Haleh Akhavan-Niaki. (2021) First comprehensive computational analysis of functional consequences of TMPRSS2 SNPs in susceptibility to SARS-CoV-2 among different populations. Journal of Biomolecular Structure and Dynamics 39:10, pages 3576-3593.
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Khalid El Asnaoui & Youness Chawki. (2021) Using X-ray images and deep learning for automated detection of coronavirus disease. Journal of Biomolecular Structure and Dynamics 39:10, pages 3615-3626.
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Mohammad Mahdi Nejadi Babadaei, Anwarul Hasan, Samir Haj Bloukh, Zehra Edis, Majid Sharifi, Ehsan Kachooei & Mojtaba Falahati. (2021) The expression level of angiotensin-converting enzyme 2 determines the severity of COVID-19: lung and heart tissue as targets. Journal of Biomolecular Structure and Dynamics 39:10, pages 3780-3786.
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Akinwunmi O. Adeoye, Babatunde Joseph Oso, Ige Francis Olaoye, Habibu Tijjani & Ahmed I. Adebayo. (2021) Repurposing of chloroquine and some clinically approved antiviral drugs as effective therapeutics to prevent cellular entry and replication of coronavirus. Journal of Biomolecular Structure and Dynamics 39:10, pages 3469-3479.
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Gideon A. Gyebi, Olalekan B. Ogunro, Adegbenro P. Adegunloye, Oludare M. Ogunyemi & Saheed O. Afolabi. (2021) Potential inhibitors of coronavirus 3-chymotrypsin-like protease (3CLpro): an in silico screening of alkaloids and terpenoids from African medicinal plants. Journal of Biomolecular Structure and Dynamics 39:9, pages 3396-3408.
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Naún Lobo-Galo, Manuel Terrazas-López, Alejandro Martínez-Martínez & Ángel Gabriel Díaz-Sánchez. (2021) FDA-approved thiol-reacting drugs that potentially bind into the SARS-CoV-2 main protease, essential for viral replication. Journal of Biomolecular Structure and Dynamics 39:9, pages 3419-3427.
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Khattab Al-Khafaji, Dunya AL-Duhaidahawi & Tugba Taskin Tok. (2021) Using integrated computational approaches to identify safe and rapid treatment for SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 39:9, pages 3387-3395.
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Sourav Das, Sharat Sarmah, Sona Lyndem & Atanu Singha Roy. (2021) An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study. Journal of Biomolecular Structure and Dynamics 39:9, pages 3347-3357.
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Imane Abdelli, Faiçal Hassani, Sohayb Bekkel Brikci & Said Ghalem. (2021) In silico study the inhibition of angiotensin converting enzyme 2 receptor of COVID-19 by Ammoides verticillata components harvested from Western Algeria. Journal of Biomolecular Structure and Dynamics 39:9, pages 3263-3276.
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Hussain Mustatab Wahedi, Sajjad Ahmad & Sumra Wajid Abbasi. (2021) Stilbene-based natural compounds as promising drug candidates against COVID-19. Journal of Biomolecular Structure and Dynamics 39:9, pages 3225-3234.
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Saurabh K. Sinha, Anshul Shakya, Satyendra K. Prasad, Shashikant Singh, Nilambari S. Gurav, Rupali S. Prasad & Shailendra S. Gurav. (2021) An in-silico evaluation of different Saikosaponins for their potency against SARS-CoV-2 using NSP15 and fusion spike glycoprotein as targets. Journal of Biomolecular Structure and Dynamics 39:9, pages 3244-3255.
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Rajib Islam, Md. Rimon Parves, Archi Sundar Paul, Nizam Uddin, Md. Sajjadur Rahman, Abdulla Al Mamun, Md. Nayeem Hossain, Md. Ackas Ali & Mohammad A. Halim. (2021) A molecular modeling approach to identify effective antiviral phytochemicals against the main protease of SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 39:9, pages 3213-3224.
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Abdo A. Elfiky. (2021) SARS-CoV-2 RNA dependent RNA polymerase (RdRp) targeting: an in silico perspective. Journal of Biomolecular Structure and Dynamics 39:9, pages 3204-3212.
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João Vitor Silva, Soraya da Silva Santos, M. Teresa Machini & Jeanine Giarolla. (2021) Neglected tropical diseases and infectious illnesses: potential targeted peptides employed as hits compounds in drug design. Journal of Drug Targeting 29:3, pages 269-283.
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