eNauka - pregled
Pregled prema Autor Mary Y. Sheena
Prikaz rezultata 1 do 7 od 7
| Godina | Naslov | Autor(i) | Tip rezultata | Mp-kat. |
|---|---|---|---|---|
| 2021 | Concentration and solvent dependent SERS, DFT, MD simulations and molecular docking studies of a thioxothiazolidine derivative with antimicrobial properties | Mary Y. Sheena; Mary Y. Shyma; Armaković Stevan   ; Armaković Sanja ; Krátký Martin; Vinsova Jarmila; Baraldi Cecilia; Gamberini Maria Cristina | Naučni članak | 21M21 - Rad u vrhunskom međ. časopisu |
| 2022 | Insights into the reactivity properties, docking, DFT and MD simulations of orphenadrinium dihydrogen citrate in different solvents | S.Al-Otaibi Jamelah; Mary Y. Sheena; Mary Y. Shyma; Armaković Sanja ; Armaković Stevan ; Van Alsenoy C.; Yathirajan H. S. | Naučni članak | 21M21 - Rad u vrhunskom međ. časopisu |
| 2021 | Investigation of reactive properties of an antiviral azatricyclo derivative–KDFT, MD and docking simulations | Mary Y. Sheena; Mary Y. Shyma; Armaković Stevan ; Armaković Sanja ; Pakosinska-Parys Magdalena; Yadav Rohitash; Celik Ismail | Naučni članak | 22M22 - Rad u istaknutom međ. časopisu |
| 2021 | Investigation of the reactivity properties of a thiourea derivative with anticancer activity by DFT and MD simulations | Mary Y. Sheena; Mary Y. Shyma; Bielenica Anna; Armaković Stevan ; Armaković Sanja ; Chandramohan Vivek; Dammalli Manjunath | Naučni članak | 23M23 - Rad u međ. časopisu |
| 2021 | Optoelectronic properties of the newly designed 1,3,5-triazine derivatives with isatin, chalcone and acridone moieties | Armaković Sanja ; Mary Y. Sheena; Mary Y. Shyma; Пелемиш Светлана ; Armaković Stevan | Naučni članak | 23M23 - Rad u međ. časopisu |
| 2021 | Reactivity properties and adsorption behavior of a triazole derivative – DFT and MD simulation studies | Al-Ghulikah Hanan A.; Al-Mutairi Aamal A.; Hassan Hanan M.; Emam Ali A.; Mary Y. Sheena; Mary Y. Shyma; Armaković Stevan ; Armaković Sanja | Naučni članak | 21M21 - Rad u vrhunskom međ. časopisu |
| 2021 | Stability and reactivity study of bio-molecules brucine and colchicine towards electrophile and nucleophile attacks: Insight from DFT and MD simulations | Mary Y. Sheena; Mary Y. Shyma; Armaković Stevan ; Armaković Sanja ; Yadav Rohitash; Celik Ismail; Mane Pratap; Chakraborty Brahmananda | Naučni članak | 21M21 - Rad u vrhunskom međ. časopisu |