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Journal of Biomolecular Structure & Dynamics|May 5, 2022
Investigation of molecular mechanism leading to gefitinib and osimertinib resistance against EGFR tyrosine kinase: molecular dynamics and binding free energy calculationAmit Singh, Abha MishraJournal of Biomolecular Structure & Dynamics|May 5, 2022
Promising antivirals for PLpro of SARS-CoV-2 using virtual screening, molecular docking, dynamics, and MMPBSAReena Kumari, Viney Kumar, Poonam Dhankhar, et al.Journal of Biomolecular Structure & Dynamics|May 5, 2022
A multi-epitope vaccine candidate developed from unique immunogenic epitopes against Cryptosporidium hominis by utilizing an immunoinformatics-driven approachNirali Pandya, Amit KumarJournal of Biomolecular Structure & Dynamics|May 21, 2019
Breast cancer mutation in GATA3 zinc finger 1 induces conformational changes leading to the closer binding of ZnFn2 with a wrapping architectureRohit Karn, Isaac Arnold EmersonJournal of Biomolecular Structure & Dynamics|October 11, 2021
Antinociceptive, anti-inflammatory and hypoglycemic activities of the ethanolic Turnera subulata Sm. flower extract in adult zebrafish (Danio rerio)Emanuela de Lima Rebouças, Antonio Wlisses da Silva, Marnielle Coutinho Rodrigues, et al.Journal of Biomolecular Structure & Dynamics|October 11, 2021
In silico identification of novel benzophenone-coumarin derivatives as SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) inhibitorsShashank M Patil, Reshma Mary Martiz, Ramith Ramu, et al.Journal of Biomolecular Structure & Dynamics|October 11, 2021
Leishmanicidal and cytotoxic activity of essential oil from the fruit peel of Myrciaria floribunda (H. West ex Willd.) O. Berg: Molecular docking and molecular dynamics simulations of its major constituent onto Leishmania enzyme targetsDeyzi Caroline da Silva Barbosa, Vanderlan Nogueira Holanda, Arabinda Ghosh, et al.Journal of Biomolecular Structure & Dynamics|October 13, 2021
Identifying the natural compound Catechin from tropical mangrove plants as a potential lead candidate against 3CLpro from SARS-CoV-2: An integrated in silico approachRajat Kumar Jha, Rameez Jabeer Khan, A Parthiban, et al.Journal of Biomolecular Structure & Dynamics|October 14, 2021
Therapeutic strategies for Covid-19 based on molecular docking and dynamic studies to the ACE-2 receptors, Furin, and viral spike proteinsEssam S A E H Khattab, Ahmed Ragab, Mahmoud A Abol-Ftouh, et al.Journal of Biomolecular Structure & Dynamics|April 8, 2022
The physiological role of complex V in ATP synthesis: Murzyme functioning is viable whereas rotary conformation change model is untenableKelath Murali Manoj, Nikolai Mikhailovich Bazhin, Hirohisa Tamagawa, et al.Pageof 935