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Journal of Biomolecular Structure & Dynamics|January 6, 2022
Molecular dynamics simulations and in vitro studies of hybrid decellularized leaf-peptide-polypyrrole composites for potential tissue engineering applicationsSaige M Mitchell, Harrison T Pajovich, Sarah M Broas, et al.Journal of Biomolecular Structure & Dynamics|January 7, 2022
Modeling, molecular dynamics and docking studies of a full-length Echinococcus granulosus 2DBD nuclear receptorSaira Cancela, Adriana Esteves, Gabriela Alvite, et al.Journal of Biomolecular Structure & Dynamics|January 7, 2022
Modeling mRNA-based vaccine YFV.E1988 against yellow fever virus E-protein using immuno-informatics and reverse vaccinology approachNabiha Tasneem Khan, Maliha Afroj Zinnia, Abul Bashar Mir Md Khademul IslamJournal of Biomolecular Structure & Dynamics|January 21, 2022
Insights into the potential of withanolides as Phosphodiesterase-4 (PDE4D) inhibitorsAditya Rathi, Vipul Kumar, Durai SundarJournal of Biomolecular Structure & Dynamics|November 16, 2021
In silico design of HDAC6 inhibitors with neuroprotective effectsYudibeth Sixto-López, José Antonio Gómez-Vidal, Nuria de Pedro, et al.Journal of Biomolecular Structure & Dynamics|November 16, 2021
Suramin, penciclovir, and anidulafungin exhibit potential in the treatment of COVID-19 via binding to nsp12 of SARS-CoV-2Sanjay Kumar Dey, Manisha Saini, Chetna Dhembla, et al.Journal of Biomolecular Structure & Dynamics|November 17, 2021
Regulation of neuronal repair and regeneration through inhibition of oligodendrocyte myelin glycoprotein (OMgp)Princy Choudhary, Shivani Gupta, Richa Shukla, et al.Journal of Biomolecular Structure & Dynamics|November 5, 2021
Molecular docking and simulation studies of synthetic protease inhibitors against COVID-19: a computational studyShaimaa A Gouhar, Zeinab A ElshahidJournal of Biomolecular Structure & Dynamics|February 24, 2021
In-silico based identification of phytochemicals from Houttuynia cordata Thunb. as potential inhibitors for overexpressed HER2 and VEGFR2 cancer genesSanjib Kumar Das, Suman Jyoti Deka, Dipayan Paul, et al.Journal of Biomolecular Structure & Dynamics|November 29, 2021
Structural and theoretical investigations, Hirshfeld surface analysis and anti-SARS CoV-2 of nickel (II) coordination complexSunil Kumar, Mukesh ChoudharyPageof 935