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Journal of Biomolecular Structure & Dynamics|July 5, 2022
Computational insight into the binding of bryostatin 1 with ferritin: implication of natural compounds in Alzheimer's disease therapeuticsMoyad Shahwan, Fahad A Alhumaydhi, Sharaf E Sharaf, et al.Journal of Biomolecular Structure & Dynamics|October 13, 2020
Cysteine focused covalent inhibitors against the main protease of SARS-CoV-2Archi Sundar Paul, Rajib Islam, Md Rimon Parves, et al.Journal of Biomolecular Structure & Dynamics|October 13, 2020
Molecular recognition of acetylcholinesterase and its subnanomolar reversible inhibitor: a molecular simulations studyMaja Vitorović-Todorović, Ilija Cvijetić, Mire Zloh, et al.Journal of Biomolecular Structure & Dynamics|October 14, 2020
The effect of hesperidin and luteolin isolated from Eriocephalus africanus on apoptosis, cell cycle and miRNA expression in MCF-7Judie Magura, Roshila Moodley, Irene MackrajJournal of Biomolecular Structure & Dynamics|October 15, 2020
Molecular networking based dereplication of AChE inhibitory compounds from the medicinal plant Vincetoxicum funebre (Boiss. & Kotschy)Mahdi Abbas-Mohammadi, Mahdi Moridi Farimani, Peyman Salehi, et al.Journal of Biomolecular Structure & Dynamics|October 15, 2020
Natural bioactive compounds as a new source of promising G protein-coupled estrogen receptor (GPER) modulators: comprehensive in silico approachShafi Ullah Khan, Nafees Ahemad, Lay-Hong Chuah, et al.Journal of Biomolecular Structure & Dynamics|October 7, 2020
In silico exploration of small-molecule α-helix mimetics as inhibitors of SARS-COV-2 attachment to ACE2Mohammed Hakmi, E L Mehdi Bouricha, Jihane Akachar, et al.Journal of Biomolecular Structure & Dynamics|October 16, 2020
Molecular dynamic mechanism(s) of inhibition of bioactive antiviral phytochemical compounds targeting cytochrome P450 3A4 and P-glycoproteinIdowu Kehinde, Pritika Ramharack, Manimbulu Nlooto, et al.Journal of Biomolecular Structure & Dynamics|October 26, 2020
Haptoglobin and the related haptoglobin protein: the N-terminus makes the differenceGiovanna De Simone, Andrea Pasquadibisceglie, Fabio Polticelli, et al.Journal of Biomolecular Structure & Dynamics|October 27, 2020
Understanding reactivity of a triazole derivative and its interaction with graphene and doped/undoped-coronene-a DFT studyY Sheena Mary, Y Shyma Mary, Stevan Armaković, et al.Pageof 932