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Computational assessment of the reactivity and anticancer activity of 1,2,3-triazole-thiazolidinones derivatives: An approach combining DFT calculations, molecular dynamics simulations, molecular docking, and ADMET Bimoussa, Abdoullah; Hachim, Mouhi Eddine; Laamari, Yassine; Geesi, Mohammed H.; Muhammed, Muhammed Tilahun; Alamri, Mubarak A.; Riadi, Yassine; Yildiz, Ilkay; Oubella, Ali; Alotaibi, Saad H.; Auhmani, Aziz; Itto, My Youssef Ait 分享 收藏
Discovery of Novel EGFR Inhibitor Targeting Wild-Type and Mutant Forms of EGFR: In Silico and In Vitro Study Todsaporn, Duangjai; Zubenko, Alexander; Kartsev, Victor; Aiebchun, Thitinan; Mahalapbutr, Panupong; Petrou, Anthi; Geronikaki, Athina; Divaeva, Liudmila; Chekrisheva, Victoria; Yildiz, Ilkay; Choowongkomon, Kiattawee; Rungrotmongkol, Thanyada 分享 收藏
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Modification of benzoxazole derivative by bromine-spectroscopic, antibacterial and reactivity study using experimental and theoretical procedures Aswathy, V. V.; Alper-Hayta, Sabiha; Yalcin, Gozde; Mary, Y. Sheena; Panicker, C. Yohannan; Jojo, P. J.; Kaynak-Onurdag, Fatma; Armakovic, Stevan; Armakovic, Sanja J.; Yildiz, Ilkay; Van Alsenoy, C. 分享 收藏
Vibrational spectroscopic analysis, molecular dynamics simulations and molecular docking study of 5-nitro-2-phenoxymethyl benzimidazole Menon, Vidya V.; Foto, Egemen; Mary, Y. Sheena; Karatas, Esin; Panicker, C. Yohannan; Yalcin, Gozde; Armakovic, Stevan; Armakovic, Sanja J.; Van Alsenoy, C.; Yildiz, Ilkay 分享 收藏
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Quantum mechanical and spectroscopic (FT-IR, FT-Raman, 1H NMR and UV) investigations of 2-(p-nitrobenzyl) benzoxazole Bhagyasree, J. B.; Varghese, Hema Tresa; Panicker, C. Yohannan; Samuel, Jadu; Van Alsenoy, Christian; Yilmaz, Serap; Yildiz, Ilkay; Aki, Esin 分享 收藏
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Vibrational spectroscopic (FT-IR, FT-Raman, 1H NMR and UV) investigations and computational study of 5-nitro-2-(4-nitrobenzyl) benzoxazole Bhagyasree, J. B.; Varghese, Hema Tresa; Panicker, C. Yohannan; Samuel, Jadu; Van Alsenoy, Christian; Bolelli, Kayhan; Yildiz, Ilkay; Aki, Esin 分享 收藏
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IR, Raman and SERS spectra of 2-phenoxymethylbenzothiazole Panicker, C. Yohannan; Varghese, Hema Tresa; Raj, Asha; Raju, K.; Ertan-Bolelli, Tugba; Yildiz, Ilkay; Temiz-Arpaci, Ozlem; Granadeiro, Carlos M.; Nogueira, Helena I. S. 分享 收藏
Synthesis, biological evaluation and 2D-QSAR analysis of benzoxazoles as antimicrobial agents 苯并恶唑类抗菌剂的合成、生物学评价及2D-QSAR分析 Ertan, Tugba; Yildiz, Ilkay; Tekiner-Gulbas, Betul; Bolelli, Kayhan; Temiz-Arpaci, Ozlem; Ozkan, Semiha; Kaynak, Fatma; Yalcin, Ismail; Aki, Esin 分享 收藏