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Journal of Biomolecular Structure & Dynamics|November 17, 2020
Computational investigation of binding of chloroquinone and hydroxychloroquinone against PLPro of SARS-CoV-2Dhaval Patel, Mohd Athar, P C JhaJournal of Biomolecular Structure & Dynamics|November 20, 2020
Virtual screening and molecular simulation study of natural products database for lead identification of novel coronavirus main protease inhibitorsNancy Tripathi, Bharat Goel, Nivedita Bhardwaj, et al.Journal of Biomolecular Structure & Dynamics|November 5, 2020
SARS-CoV-2 Mpro inhibitors: identification of anti-SARS-CoV-2 Mpro compounds from FDA approved drugsShiv Bharadwaj, Esam Ibraheem Azhar, Mohammad Amjad Kamal, et al.Journal of Biomolecular Structure & Dynamics|November 6, 2020
Discovery of potent Camkk1 kinase inhibitors through e-pharmacophore and molecular screening approachesJayaprakash Prajisha, Jayashree Biswal, Jeyaraman JeyakanthanJournal of Biomolecular Structure & Dynamics|November 6, 2020
SARS-CoV-2 mutations and where to find them: an in silico perspective of structural changes and antigenicity of the spike proteinRicardo Lemes Gonçalves, Túlio César Rodrigues Leite, Bruna de Paula Dias, et al.Journal of Biomolecular Structure & Dynamics|November 6, 2020
Structural mechanism of the Tanford transition of bovine β-lactoglobulin through microsecond molecular dynamics simulationsMartiniano BelloJournal of Biomolecular Structure & Dynamics|September 10, 2020
Virtual screening of approved clinic drugs with main protease (3CLpro) reveals potential inhibitory effects on SARS-CoV-2Qiang Wang, Ying Zhao, Xiaojia Chen, et al.Journal of Biomolecular Structure & Dynamics|November 11, 2020
Nanobodies: an unexplored opportunity to combat COVID-19Sayeh Ezzikouri, Jalal Nourlil, Kyoko Tsukiyama-Kohara, et al.Journal of Biomolecular Structure & Dynamics|November 12, 2020
In-silico drug repurposing for targeting SARS-CoV-2 main protease (Mpro)Shilpa Sharma, Shashank DeepJournal of Biomolecular Structure & Dynamics|November 12, 2020
Modeling and simulation of atrazine biodegradation in bacteria and its effect in other living systemsPankaj Bhatt, Kanika Sethi, Saurabh Gangola, et al.Pageof 935