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Browsing by Author Beegum, Shargina
Showing results 1 to 6 of 6
| Issue Date | Title | Author(s) | Type | Мp-cat. |
|---|---|---|---|---|
| 2026 | Computational investigation of hydrogen abstraction and aqueous interaction of thyroxine: a combined DFT and molecular dynamics study | Al-Otaibi, Jamelah S; Mary, Y Sheena; Beegum, Shargina; Bhagyasree, JB; Armakovic, Stevan   ; Armakovic, Sanja J ; Van, Alsenoy Christian; Gamberini, Maria Cristina | Article | 22M22 |
| 2020 | Experimental and computational analysis of 1-(4-chloro-3-nitrophenyl)-3-(3,4-dichlorophenyl)thiourea | Bielenica, Anna; Beegum, Shargina; Mary, Y. Sheena; Mary, Y. Shyma; Thomas, Renjith; Armaković, Stevan ; Armaković, Sanja ; Madeddu, Silvia; Struga, Marta; Van, Alsenoy C. | Article | 22M22 |
| 2020 | Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical tools | Beegum, Shargina; Mary, Y. Sheena; Mary, Y. Shyma; Thomas, Renjith; Armaković, Stevan ; Armaković, Sanja ; Zitko, Jan; Dolezal, Martin; Van, Alsenoy C. | Article | 21aM21a |
| 2017 | Molecular conformational analysis, reactivity, vibrational spectral analysis and molecular dynamics and docking studies of 6-chloro-5- isopropylpyrimidine-2,4(1H,3H)-dione, a potential precursor to bioactive agent | Al-Omary, Fatmah A.M.; Mary, Y. Sheena; Beegum, Shargina; Panicker, C. Yohannan; Al-Shehri, Mona M.; El-Emam, Ali A.; Armaković, Stevan ; Armaković, Sanja ; Van, Alsenoy C. | Article | 22M22 |
| 2019 | Spectroscopic, antimicrobial and computational study of novel benzoxazole derivative | Beegum, Shargina; Mary, Y Sheena; Panicker, C. Yohannan; Armaković, Stevan ; Armaković, Sanja ; Arisoy, Mustafa; Temiz-Arpaci, Ozlem; Van, Alsenoy Christian | Article | 22M22 |
| 2017 | Vibrational spectroscopic analysis of cyanopyrazine-2-carboxamide derivatives and investigation of their reactive properties by DFT calculations and molecular dynamics simulations | Beegum, Shargina; Mary, Y. Sheena; Varghese, Hema Tresa; Panicker, C. Yohannan; Armaković, Stevan ; Armaković, Sanja ; Zitko, Jan; Dolezal, Martin; Van, Alsenoy C. | Article | 22M22 |