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Journal of Biomolecular Structure & Dynamics|August 2, 2022
In silico based multi-epitope vaccine design against norovirusPallavi M Shanthappa, Renuka Suravajhala, Prashanth Suravajhala, et al.Journal of Biomolecular Structure & Dynamics|August 2, 2022
Structural, vibrational spectroscopy, molecular docking, DFT studies and antibacterial activity of (E)-N1-(3-chlorobenzylidene)benzene-1,4-diamineTowseef Ahmad Hajam, Saleem H, F M Mashood AhamedJournal of Biomolecular Structure & Dynamics|March 13, 2023
Virtual screening and structure-activity relationship study of novel BTK inhibitors in Traditional Chinese Medicine for the treatment of rheumatoid arthritisLili Sun, Zixiao Wang, Zhigang Yang, et al.Journal of Biomolecular Structure & Dynamics|March 13, 2023
A novel class of phenylpyrazolone-sulphonamides rigid synthetic anticancer molecules selectively inhibit the isoform IX of carbonic anhydrases guided by molecular docking and orbital analysesMaan T Khayat, Hany E A Ahmed, Abdelsattar M Omar, et al.Journal of Biomolecular Structure & Dynamics|March 13, 2023
A review on medicinally important heterocyclic compounds and importance of biophysical approach of underlying the insight mechanism in biological environmentSubramani Karthikeyan, Maria Grishina, Saravanan Kandasamy, et al.Journal of Biomolecular Structure & Dynamics|December 11, 2025
Genotyping and molecular dynamic simulations reveal the role of MSH2 DNA repair polymorphisms in lung cancer riskSidhartha Singh, Navneet Singh, Shashank Garg, et al.Journal of Biomolecular Structure & Dynamics|December 19, 2025
Exploring the bifunctionality of aminotransferases in the arogenate route of l-tyrosine synthesisEldin Kurpejović, Selen Emirhanoglu, Emre Abdullahoglu, et al.Journal of Biomolecular Structure & Dynamics|December 2, 2025
Structural and energetic insights into cGAS-DNA monomer and oligomer formation: an MD and mM/GBSA studyXiaowen Wang, Wenjin LiJournal of Biomolecular Structure & Dynamics|January 30, 2026
Exploring insulin aggregation at neutral pH and its inhibition via caffeic acid: a biophysical and bioinformatics analysisNojood Al-Twaijry, Duna Abdulaziz Almajhad, Moneera Saud Al-Bagmi, et al.Journal of Biomolecular Structure & Dynamics|January 27, 2026
HVLGAN: hybrid hierarchical scaled attention-enabled latent model for structure-based drug discoveryShreyas Rajendra Hole, Lakshmanan M, Jeevaraj R, et al.Pageof 932