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Journal of Biomolecular Structure & Dynamics|October 26, 2021
Diterpene Sonderianin isolated from Croton blanchetianus exhibits acetylcholinesterase inhibitory action and anxiolytic effect in adult zebrafish (Danio rerio) by 5-HT systemJoyce Dos Reis Lima, Maria Kueirislene Amancio Ferreira, Ketelly Vanessa Barros Sales, et al.Journal of Biomolecular Structure & Dynamics|October 26, 2021
Designing of cytotoxic T lymphocyte-based multi-epitope vaccine against SARS-CoV2: a reverse vaccinology approachReethu Vivekanandam, Kamarajan Rajagopalan, Madesh Jeevanandam, et al.Journal of Biomolecular Structure & Dynamics|October 11, 2021
Modulation of interaction of BRCA1-RAD51 and BRCA1-AURKA protein complexes by natural metabolites using as possible therapeutic intervention toward cardiotoxic effects of cancer drugs: an in-silico approachSameeksha Tiwari, Veda P Pandey, Kusum Yadav, et al.Journal of Biomolecular Structure & Dynamics|January 25, 2022
In silico evaluation of molecular interactions between macrocyclic inhibitors with the HCV NS3 protease. Docking and identification of antiviral pharmacophore siteHind Lafridi, Faisal A Almalki, Taibi Ben Hadda, et al.Journal of Biomolecular Structure & Dynamics|March 22, 2022
Urea ameliorates trimethylamine N-oxide-Induced aggregation of intrinsically disordered α-casein protein: the other side of the urea-methylamine counteractionMohd Younus Bhat, Irfan Ahmad Mir, Mahboob Ul Hussain, et al.Journal of Biomolecular Structure & Dynamics|March 22, 2022
De novo designed EBAI as a potential inhibitor of the viral protein BHRF1. Research in silicoAndrii A Zaremba, Polina Y Zaremba, Maxim O PlatonovJournal of Biomolecular Structure & Dynamics|April 1, 2022
Discovery of a novel inhibitor against urokinase-type plasminogen activator, a potential enzyme with a role in atherosclerotic plaque instabilityRik Ganguly, Baphilinia Jones Mylliemngap, Atanu BhattacharjeeJournal of Biomolecular Structure & Dynamics|March 24, 2022
Screening of novel and selective inhibitors for neuronal nitric oxide synthase (nNOS) via structure-based drug design techniquesSarah Boumezber, Kemal YelekçiJournal of Biomolecular Structure & Dynamics|April 13, 2022
Identification of a 3-(5-methyl-2-thiazolylamino)phthalide as a new minor groove agentZeynep Tanrıkulu Yılmaz, Hakkı Yasin Odabaşoğlu, Pelin Şenel, et al.Journal of Biomolecular Structure & Dynamics|March 25, 2022
Computational studies suggest compounds restoring function of p53 cancer mutants can bind SARS-CoV-2 spike proteinTanushree Das, Chaitali MukhopadhyayPageof 930