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Mohd Sajid Ali

King Saud University
H指数:32
被引数:4,126

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Synthesis, structural elucidation, Hirshfeld surface, DFT studies, and in-silico studies of 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole : An experimental and theoretical approach

2-(4-氟苯基)-5-(4-甲氧基苯基)-1,3,4-噻二唑的合成、结构表征、Hirshfeld表面、DFT研究及计算机模拟研究:实验与理论方法

2025-08-280
PRE
Structural analysis and computational studies of pyrazole derivative: Investigation of interactions by X-ray crystallography, DFT, molecular docking, and molecular dynamics simulation

吡唑衍生物的结构分析与计算研究:通过X射线晶体学、DFT、分子对接和分子动力学模拟研究相互作用

2025-08-050
PRE
Structural elucidation, Hirshfeld surface analysis, DFT, and molecular docking studies of puckered compound: (6aS,12aR)-9-bromo-7,7-dimethyl-6a,7,12,12a-tetrahydro-6H,13H-thiochromeno[3′,4′:5,6]thiopyrano[4,3-b] quinoline

结构表征、Hirshfeld表面分析、DFT和分子对接研究:具有褶皱结构的化合物(6aS,12aR)-9-溴-7,7-二甲基-6a,7,12,12a-四氢-6H,13H-硫色满[3′,4′:5,6]硫吡喃[4,3-b]喹啉

2025-06-121
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Evaluating the carcinogenic potential of trazodone hydrochloride via duplex DNA targeting: Molecular interaction, binding mechanism and affinity assessment via structural calculations

通过靶向双链DNA评估盐酸曲唑酮的致癌潜力:分子相互作用、结合机制及通过结构计算评估亲和力

2025-05-230
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