Journal of Biomolecular Structure and Dynamics Unbinding pathways and energetics of papaya-derived flavonoids as dengue MTase inhibitors via SMD-US and MMGBSA methods. By , 4 weeks ago
Journal of Biomolecular Structure and Dynamics Glycation-induced conformational disruption in Apolipoprotein E3 impairs lipid and heparin binding functions: a molecular dynamics approach. By , 4 weeks ago
Journal of Biomolecular Structure and Dynamics Structural stability of two promising keratinases in human hair degrading ionic liquids: paving the way for more efficient and sustainable keratin extraction. By , 4 weeks ago
Journal of Biomolecular Structure and Dynamics Modified heated dynamics and deep mutational scanning enhance anti-CXCR2 antibody affinity. By , 4 weeks ago
Journal of Biomolecular Structure and Dynamics Computational study of dacarbazine-amino acid interactions. By , 4 weeks ago
Journal of Biomolecular Structure and Dynamics An in-silico analysis of the interaction between selected honey bee venom peptides and the murine MHC-hMOG37–46 complex for investigating potential therapeutic approaches in multiple sclerosis. By , 1 month ago
Journal of Biomolecular Structure and Dynamics Role of triterpenoid derivatives from Centella asiatica as quantum chemical calculations. By , 1 month ago
Journal of Biomolecular Structure and Dynamics Computational electrophysiology simulation study of the Dengue virus viroporins. By , 1 month ago
Journal of Biomolecular Structure and Dynamics DapB is a conserved target for tackling antimicrobial resistance in Mycobacterium tuberculosis. By , 1 month ago
Journal of Biomolecular Structure and Dynamics Investigation of membrane bilayer vesicle formation influenced by temperature and coarse-grained water models. By , 1 month ago