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Yogeshwar Devarakonda, M. V. N. Janaradhan Reddy, R. S. Neethu, Aneesh Chandran & Kirtimaan Syal. (2023) Multi epitope vaccine candidate design against Streptococcus pneumonia. Journal of Biomolecular Structure and Dynamics 41:22, pages 12654-12667.
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Md. Jahirul Islam, Md. Siddik Alom, Md. Shahadat Hossain, Md Ackas Ali, Shaila Akter, Shafiqul Islam, M. Obayed Ullah & Mohammad A. Halim. (2023) Unraveling the impact of ORF3a Q57H mutation on SARS-CoV-2: insights from molecular dynamics. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-14.
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Wahiba Ezzemani, Anass Kettani, Subrahmanyam Sappati, Kavya Kondaka, Hicham El Ossmani, Kyoko Tsukiyama-Kohara, Haya Altawalah, Rachid Saile, Michinori Kohara, Soumaya Benjelloun & Sayeh Ezzikouri. (2023) Reverse vaccinology-based prediction of a multi-epitope SARS-CoV-2 vaccine and its tailoring to new coronavirus variants. Journal of Biomolecular Structure and Dynamics 41:11, pages 4917-4938.
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Hamid Reza Jahantigh, Behzad Shahbazi, Hamed Gouklai, Hans Van der Weken, Zahra Gharibi, Zahra Rezaei, Mehri Habibi & Khadijeh Ahmadi. (2023) Design peptide and multi-epitope protein vaccine candidates against monkeypox virus using reverse vaccinology approach: an in-silico study. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-21.
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Chin Peng Lim, Boon Hui Kok, Hui Ting Lim, Candy Chuah, Badarulhisam Abdul Rahman, Abu Bakar Abdul Majeed, Michelle Wykes, Chiuan Herng Leow & Chiuan Yee Leow. (2023) Recent trends in next generation immunoinformatics harnessed for universal coronavirus vaccine design. Pathogens and Global Health 117:2, pages 134-151.
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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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Mejdi Snoussi, Alaeddine Redissi, Amor Mosbah, Vincenzo De Feo, Mohd Adnan, Kaïss Aouadi, Mousa Alreshidi, Mitesh Patel, Adel Kadri & Emira Noumi. (2022) Emetine, a potent alkaloid for the treatment of SARS-CoV-2 targeting papain-like protease and non-structural proteins: pharmacokinetics, molecular docking and dynamic studies. Journal of Biomolecular Structure and Dynamics 40:20, pages 10122-10135.
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Vikrant Singh Rajput, Ritika Sharma, Anchala Kumari, Nidhi Vyas, Vijay Prajapati & Abhinav Grover. (2022) Engineering a multi epitope vaccine against SARS-CoV-2 by exploiting its non structural and structural proteins. Journal of Biomolecular Structure and Dynamics 40:19, pages 9096-9113.
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Mossammad U. C. Sultana, Md. Giash Uddin, Md. Billal Hossain, Md Ackas Ali, Zannatul Ferdous Sonia, Suprio Kamal & Mohammad A. Halim. (2022) Molecular dynamics investigation of ivermectin bound to importin alpha/beta heterodimer. Molecular Simulation 48:4, pages 314-321.
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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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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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Maria da Conceição Viana Invenção, Alanne Rayssa da Silva Melo, Larissa Silva de Macêdo, Thaís Souto Paula da Costa Neves, Cristiane Moutinho Lagos de Melo, Marcelo Nazário Cordeiro, Marcus Vinicius de Aragão Batista & Antonio Carlos de Freitas. (2021) Development of synthetic antigen vaccines for COVID-19. Human Vaccines & Immunotherapeutics 17:11, pages 3855-3870.
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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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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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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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Anuj Kumar, Gourav Choudhir, Sanjeev Kumar Shukla, Mansi Sharma, Pankaj Tyagi, Arvind Bhushan & Madhu Rathore. (2021) Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approaches. Journal of Biomolecular Structure and Dynamics 39:10, pages 3760-3770.
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Satyajit Beura & Prabhakar Chetti. (2021) In-silico strategies for probing chloroquine based inhibitors against SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 39:10, pages 3747-3759.
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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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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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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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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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Arafat Hussain, Suniti Yadav, Vijay Hadda, Tejas M Suri, Pawan Tiwari, Saurabh Mittal, Karan Madan & Anant Mohan. (2020) Covid-19: a comprehensive review of a formidable foe and the road ahead. Expert Review of Respiratory Medicine 14:9, pages 869-879.
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Soumya Ranjan Mahapatra, Susrita Sahoo, Budheswar Dehury, Vishakha Raina, Shubhransu Patro, Namrata Misra & Mrutyunjay Suar. (2020) Designing an efficient multi-epitope vaccine displaying interactions with diverse HLA molecules for an efficient humoral and cellular immune response to prevent COVID-19 infection. Expert Review of Vaccines 19:9, pages 871-885.
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