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Journal of Biomolecular Structure & Dynamics|August 11, 2020
In silico designing of multi-epitope vaccine construct against human coronavirus infectionsArpita Devi, Nyshadham S N ChaitanyaJournal of Biomolecular Structure & Dynamics|August 21, 2020
Molecular docking and simulation studies on SARS-CoV-2 Mpro reveals Mitoxantrone, Leucovorin, Birinapant, and Dynasore as potent drugs against COVID-19Kiran Bharat Lokhande, Sayali Doiphode, Renu Vyas, et al.Journal of Biomolecular Structure & Dynamics|August 22, 2020
Immunoinformatics and molecular dynamics studies to predict T-cell-specific epitopes of four Klebsiella pneumoniae fimbriae antigensMosayeb Rostamian, Alireza Farasat, Roya Chegene Lorestani, et al.Journal of Biomolecular Structure & Dynamics|July 21, 2020
In-silico drug repurposing and molecular dynamics puzzled out potential SARS-CoV-2 main protease inhibitorsMahmoud A A Ibrahim, Alaa H M Abdelrahman, Mohamed-Elamir F HegazyJournal of Biomolecular Structure & Dynamics|July 21, 2020
In silico analysis of polyphenols and flavonoids for design of human Nav1.7 inhibitorsSameep Sonvane, Prafulla Choudhari, Omprakash BhusnuareJournal of Biomolecular Structure & Dynamics|July 18, 2020
Approach to the mechanism of action of hydroxychloroquine on SARS-CoV-2: a molecular docking studyIsmail Celı K, Arzu Onay-Besı Kcı, Gulgun Ayhan-Kilcigı LJournal of Biomolecular Structure & Dynamics|July 18, 2020
The latitude hypothesis, vitamin D, and SARS-Co-V2Robert Hedlund, Trude K Diamond, Vladimir N UverskyJournal of Biomolecular Structure & Dynamics|April 2, 2021
Characterization of the binding between anti-tumor drug 5-fluorouracil and human alpha-2-macroglobulin: spectroscopic and molecular docking analysesMohammad Khalid Zia, Tooba Siddiqui, Haseeb Ahsan, et al.Journal of Biomolecular Structure & Dynamics|July 23, 2020
Antimalarial-agent artemisinin and derivatives portray more potent binding to Lys353 and Lys31-binding hotspots of SARS-CoV-2 spike protein than hydroxychloroquine: potential repurposing of artenimol for COVID-19Moussa Sehailia, Smain ChematJournal of Biomolecular Structure & Dynamics|July 24, 2020
Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an in silico study for drug developmentPreeti Pandey, Jitendra Subhash Rane, Aroni Chatterjee, et al.Pageof 935