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Journal of Biomolecular Structure & Dynamics|January 25, 2025
Identification of putative Indoleamine 2,3-dioxygenase 1 (IDO1) and tryptophan 2,3-dioxygenase (TDO) dual inhibitors for triple-negative breast cancer therapyPriyanga Paranthaman, Shanthi VeerappapillaiJournal of Biomolecular Structure & Dynamics|January 24, 2025
Repositioning of Furin inhibitors as potential drugs against SARS-CoV-2 through computational approachesAsmae Saih, Soukayna Baammi, Hicham Charoute, et al.Journal of Biomolecular Structure & Dynamics|January 17, 2025
Exploring the conformational space of ROS1 kinase domain and the impact of allosteric mutationsFarhan Ul Haq, Juliana Fatima Vilachã, Ken Op de Beeck, et al.Journal of Biomolecular Structure & Dynamics|January 8, 2025
Novel acridone derivatives as potential P2Y12 receptor inhibitors: integrating computational modeling and experimental analysisFadi G Saqallah, Belal O Al-Najjar, Aya Y Al-Kabariti, et al.Journal of Biomolecular Structure & Dynamics|January 5, 2025
Conformational dynamics of the membrane protein of MERS-CoV in comparison with SARS-CoV-2 in ERGIC complexSubha Yegnaswamy, Selvaa Kumar C, Ebtisam AldaaisJournal of Biomolecular Structure & Dynamics|March 13, 2025
Design, synthesis and biological evaluation of pyrazolo[3,4-b]pyridine derivatives as dual CDK2/PIM1 inhibitors with potent anti-cancer activity and selectivityMahmoud S Elkotamy, Mohamed K Elgohary, Mahmoud Abdelrahman Alkabbani, et al.Journal of Biomolecular Structure & Dynamics|March 7, 2025
Computer-aided drug design approach for alkaloids isolated from Stephania glandulifera Miers as potential acetylcholinesterase inhibitorsJhalnath Dhungel, Sajan L Shyaula, Mishal Faizan, et al.Journal of Biomolecular Structure & Dynamics|March 6, 2025
Phytochemical-based drug designing against efflux-pump of ESKAPE pathogen to combat multidrug-resistant: an in silico studyAnshika Gupta, Akriti Verma, Kalpana KatiyarJournal of Biomolecular Structure & Dynamics|March 12, 2025
Protein-ligand interaction prediction based on heterogeneity maps and data enhancementWeimin Li, Xiaoyang Li, Mengying Wang, et al.Journal of Biomolecular Structure & Dynamics|March 11, 2025
Structural basis of multi-target interactions of Henna Dye Lawsone: an experimental and theoretical evaluationSyed Ismattowaha Parvin, Mukti Mohammad, Shweta Singh, et al.Pageof 935