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Journal of Biomolecular Structure & Dynamics|December 11, 2020
Anisotine and amarogentin as promising inhibitory candidates against SARS-CoV-2 proteins: a computational investigationPallab Kar, Vijay Kumar, Balachandar Vellingiri, et al.Journal of Biomolecular Structure & Dynamics|December 14, 2020
Synthesis, characterization, molecular docking and anticancer studies of fluoroaniline derivatives of hydroxybenzoquinone and hydroxynaphthoquinoneArunkumar B, Annette Fernandez, Shiny P Laila, et al.Journal of Biomolecular Structure & Dynamics|October 19, 2020
Interaction of vitamin B12 with β-lactoglobulin: a computational studyBikash Chandra Swain, Janmejaya Rout, Umakanta TripathyJournal of Biomolecular Structure & Dynamics|November 2, 2020
Unravelling the drugability of MSI2 RNA recognition motif (RRM) protein and the prediction of their effective antileukemia inhibitors from traditional herb concoctionsJoy Nkechinyere Adeniyi, Adebayo A Adeniyi, Roshila Moodley, et al.Journal of Biomolecular Structure & Dynamics|November 2, 2020
An in-silico analysis of ivermectin interaction with potential SARS-CoV-2 targets and host nuclear importin αFaizul Azam, Ismail M Taban, Eltayeb E M Eid, et al.Journal of Biomolecular Structure & Dynamics|October 29, 2020
In silico design and analysis of NS4B inhibitors against hepatitis C virusIsmail Hdoufane, Imane Bjij, Mehdi Oubahmane, et al.Journal of Biomolecular Structure & Dynamics|December 10, 2020
Fi-score: a novel approach to characterise protein topology and aid in drug discovery studiesAustė Kanapeckaitė, Claudia Beaurivage, Matthew Hancock, et al.Journal of Biomolecular Structure & Dynamics|September 27, 2022
Identification of a potential inhibitor for New Delhi metallo-β-lactamase 1 (NDM-1) from FDA approved chemical library- a drug repurposing approach to combat carbapenem resistanceShailaja S, Harshitha N, Aneesa Fasim, et al.Journal of Biomolecular Structure & Dynamics|September 27, 2022
Flavonoids as promising anticancer agents: an in silico investigation of ADMET, binding affinity by molecular docking and molecular dynamics simulationsAvadh Biharee, Arpita Yadav, Kailash Jangid, et al.Journal of Biomolecular Structure & Dynamics|October 13, 2022
Computational prediction and analysis of targeting 17-beta-hydroxysteroid dehydrogenase (17-beta-HSD1) with natural products for colorectal cancer treatmentAweke Mulu Belachew, Rakesh Kumar Bachheti, Araya Kahsay Weldekidan, et al.Pageof 935