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Journal of Biomolecular Structure & Dynamics|December 28, 2024
Modeling and interaction study of alcohol oxidase and ProteaseA in methylotrophic yeast C. boidinii: insights from In-silico analysisMohammad Wahab Khan, Ayaluru MuraliJournal of Biomolecular Structure & Dynamics|December 24, 2024
In silico studies of triazole derivatives as inhibitors for estrogen receptor (ER) mutant L536S and anaplastic lymphoma kinase: DFT/tD-DFT, molecular docking, and MD simulationsRaushan Anjum, Kalpna Jain, Kalawati Meena, et al.Journal of Biomolecular Structure & Dynamics|March 26, 2025
Reinventing PARP1 inhibition: harnessing virtual screening and molecular dynamics simulations to identify repurposed drugs for anticancer therapeuticsMohammad Khalid, Mohammed H Alqarni, Ahmed I Foudah, et al.Journal of Biomolecular Structure & Dynamics|March 24, 2025
Mechanistic study of enhanced drug release in mixed pH-responsive peptide-loaded liposomesGenpei Zhang, Xilong Zhang, Kai Yue, et al.Journal of Biomolecular Structure & Dynamics|March 7, 2025
Modeling substrate efflux in human P-glycoprotein at the atomic levelYingjie Gao, Yang Tang, Caiyan Wei, et al.Journal of Biomolecular Structure & Dynamics|March 8, 2025
Molecular insight into cross-interaction between amyloid β isoforms and its effect on aggregation pathwaysLi Wang, Sanghwan Park, Jae Hong Choi, et al.Journal of Biomolecular Structure & Dynamics|April 7, 2025
Understanding of ATP-lid conformational dynamics in the N-terminal domain of Hsp90 and its mutants by use of a computational biochemistry approachKeigo GohdaJournal of Biomolecular Structure & Dynamics|April 7, 2025
Homology modeling, molecular docking and MD simulations study of 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline derivatives as sigma-2 receptor ligandsVishakha Chaudhary, Shubhra Chaturvedi, Anju Wadhwa, et al.Journal of Biomolecular Structure & Dynamics|April 5, 2025
Enhancing stability and catalytic activity of urate oxidase using natural deep eutectic solvent: insights from experimental and computational approachesZahra Soltani-Nezhad, Maryam Zaboli, Mojtaba Mortazavi, et al.Journal of Biomolecular Structure & Dynamics|March 11, 2025
Activation segment of protein kinases: classification based on multidimensional analysisA Ahiri, A AboulmouhajirPageof 931