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Journal of Biomolecular Structure & Dynamics|December 27, 2024
Identification of promising cancer target proteins of major sesquiterpene lactones from Vernonia sppMuhammad Faisal, Potchanapond Graidist, Varomyalin TipmaneeJournal of Biomolecular Structure & Dynamics|December 27, 2024
In-silico identification of potential peptide inhibitors to disrupt NLRP3 inflammasome complex formation by blocking NLRP3-ASC pyrin-pyrin interactionsMaryam Zulfat, Hind A Alkhatabi, Roaa M Alreemi, et al.Journal of Biomolecular Structure & Dynamics|December 23, 2024
Integrating structure-guided and fragment-based inhibitor design to combat bedaquiline resistant Mycobacterium tuberculosis: a molecular dynamics studyAlankar Roy, Prantik Banerjee, Ishani Paul, et al.Journal of Biomolecular Structure & Dynamics|December 17, 2024
Essential oil constituents of regional ethnomedicinal plants as potential inhibitors of SARS-CoV-2 Mpro: an integrated molecular docking, molecular dynamics and QM/MM studyAmbalika Phonglo, Dikshita Dowerah, Srutishree Sarma, et al.Journal of Biomolecular Structure & Dynamics|December 17, 2024
Enhanced targeting efficacy of baicalein analogues on the dimeric state of SARS-CoV-2 3CL protease compared to monomeric stateAhmed I Foudah, Aftab AlamJournal of Biomolecular Structure & Dynamics|December 31, 2024
Investigation of ritonavir analogs antiretroviral natural compounds against SARS-CoV-2 envelope proteinShivani Negi, Nitin Kumar Kamboj, Gireesh Babu K, et al.Journal of Biomolecular Structure & Dynamics|December 13, 2024
The evaluation of Hertia cheirifolia L. extract by GC-MS coupled with in silico study as potent inhibitors of human pancreatic lipaseHicham Bouakkaz, Neşet Neşetoğlu, Khedidja Benarous, et al.Journal of Biomolecular Structure & Dynamics|December 13, 2024
Mechanism to disrupt ESCRT-mediated intracellular trafficking through Vps28-small molecules interaction: an in silico approachBhanu Pratap Gurjar, Anuranjan Singh Rathore, Ritik Yadav, et al.Journal of Biomolecular Structure & Dynamics|December 12, 2024
The vascular effects of peppermint (Mentha longifolia. L) on aorta in a mouse model: an ex-vivo and computational studyKhalid M Alkharfy, Ajaz Ahmad, Saleh Almuaijel, et al.Journal of Biomolecular Structure & Dynamics|February 3, 2025
In silico analysis of bacteriocins from Lactobacillus acidophilus membrane vesicles against Streptococcus mutans GtfB proteinVenkatramanan Mahendrarajan, Easwaran NaliniPageof 935