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Journal of Biomolecular Structure & Dynamics|January 9, 2023
Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy framework, docking and molecular dynamic simulations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one as anticancer agentFouad El Kalai, Emine Berrin Çınar, Yusuf Sert, et al.Acta Crystallographica. Section E, Crystallographic Communications|October 29, 2020
Crystal structure, Hirshfeld surface analysis and DFT studies of (E)-4-methyl-2-{[(2-methyl-3-nitro-phen-yl)imino]-meth-yl}phenolEmine Berrin Cinar, Md Serajul Haque Faizi, Nermin Kahveci Yagci, et al.Acta Crystallographica. Section E, Crystallographic Communications|April 14, 2023
Crystal structure, Hirshfeld surface analysis and DFT study of (5E,5'E,6Z,6'Z)-6,6'-[ethane-1,2-diyl-bis(aza-nylyl-idene)]bis-{5-[2-(4-fluoro-phen-yl)hydra-zono]-3,3-di-methyl-cyclo-hexa-none} 2.5-hydrateMalahat Musrat Kurbanova, Md Serajul Haque Faizi, Emine Berrin Cinar, et al.ACS Omega|September 9, 2021
Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and Computational Study of a Novel Organic Salt Obtained from Benzylamine and an Acidic ComponentMuhammad Ashfaq, Khurram Shahzad Munawar, Muhammad Nawaz Tahir, et al.Journal of Molecular Structure|February 2, 2021
5-((1H-imidazol-1-yl)methyl)quinolin-8-ol as potential antiviral SARS-CoV-2 candidate: Synthesis, crystal structure, Hirshfeld surface analysis, DFT and molecular docking studiesDhaybia Douche, Yusuf Sert, Silvia A Brandán, et al.Journal of Inorganic Biochemistry|May 19, 2024
Zinc(II) coordination compound with N'-(pyridin-2-ylmethylene)nicotinohydrazide: Synthesis, crystal structure, computational and cytotoxicity studiesSuman Adhikari, Sourav Nath, Sevgi Kansız, et al.Acta Crystallographica. Section C, Structural Chemistry|May 6, 2020
Two new zinc(II) and mercury(II) complexes based on N,N'-(cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide): synthesis, crystal structures and antibacterial activitiesAl Ameen Bariz OmarAli, Ahmed Jasim M Al-Karawi, Adil A Awad, et al.Journal of Biomolecular Structure & Dynamics|October 4, 2021
Validation of crystal structure of 2-acetamidophenyl acetate: an experimental and theoretical studyS M Shankar, A David Stephen, C Pitchumani Violet Mary, et al.Journal of Biomolecular Structure & Dynamics|January 9, 2024
Development of new benzil-hydrazone derivatives as anticholinesterase inhibitors: synthesis, X-ray analysis, DFT study and in vitro/in silico evaluationAbdelkader Tabbiche, Abdelaziz Bouchama, Khadidja Fadli, et al.Molecules (Basel, Switzerland)|August 12, 2023
Experimental and Theoretical Biological Probing of Schiff Bases as Esterase Inhibitors: Structural, Spectral and Molecular InsightsMuhammad Asam Raza, Muhammad Waseem Mumtaz, Seyhan Öztürk, et al.Pageof 17