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Journal of Biomolecular Structure & Dynamics|August 8, 2023
Design, synthesis, molecular docking, molecular dynamic simulation, and MMGBSA analysis of 7-O-substituted 5-hydroxy flavone derivativesKajalben B Patel, Rahul V Patel, Iqrar Ahmad, et al.Journal of Biomolecular Structure & Dynamics|August 8, 2023
Synthesis and characterization of nano crystallite carboxamide-based iron(III) complexes: SOD mimetic activity, antibacterial and anticancer activity and molecular docking studySami A Al-HarbiJournal of Biomolecular Structure & Dynamics|June 6, 2023
Computational analysis of non-synonymous single nucleotide polymorphism in the bovineAnila Hoda, Xhiliola Bixheku, Mirela Lika ÇekaniJournal of Biomolecular Structure & Dynamics|May 31, 2023
Discovery of a new Bcl-2 inhibitor through synthesis, anticancer activity, docking and MD simulationsSaid Byadi, Bimoussa Abdoullah, Mourad Fawzi, et al.Journal of Biomolecular Structure & Dynamics|May 31, 2023
Investigation of new 1,2,3-triazolyl-quinolinyl-propan-2-ol derivatives as potential antimicrobial agents: in vitro and in silico approachAbhijit D Shinde, Yogesh M Nandurkar, Swapnil Bhalekar, et al.Journal of Biomolecular Structure & Dynamics|June 1, 2023
Cyanobacterial compound Tolyporphine K as an inhibitor of Apo-PBP (penicillin-binding protein) in A. baumannii and its ADME assessmentManisha Gurnani, Abhishek Chauhan, Anuj Ranjan, et al.Journal of Biomolecular Structure & Dynamics|June 8, 2023
Comprehending the intermolecular interaction of dacomitinib with bovine serum albumin: experimental and theoretical approachesZhe-Ying Hu, Wan-Jun Wang, Lu Hu, et al.Journal of Biomolecular Structure & Dynamics|May 31, 2023
Computational study on Schiff base derived salicylaldehyde and furfuraldehyde derivatives as potent anti-tubercular agents: prospect to dihydropteroate synthase inhibitorsChita Ranjan Sahoo, Sudhir Kumar Paidesetty, Budheswar Dehury, et al.Journal of Biomolecular Structure & Dynamics|May 26, 2023
Machine learning-based drug design for identification of thymidylate kinase inhibitors as a potential anti-Mycobacterium tuberculosisMuhammad Shahab, Muhammad Danial, Xiuyuan Duan, et al.Pageof 935