Просмотр собрания по группе - Тема DFT
Результаты 1 по 2 из 2
| Дата выпуска | Название | Автор(ы) |
| 2021 | Computational investigations of three main drugs and their comparison with synthesized compounds as potent inhibitors of SARS-CoV-2 main protease (Mpro): DFT, QSAR, molecular docking, and in silico toxicity analysis | Mohapatra, R. K.; Перехода, Л. О.; Perekhoda, L. O.; Azam, M.; Suleiman, M. M.; Сулейман, М. М.; Sarangi, A. K.; Semenets, A.; Pintilie, L.; Al-Resayes, S. I. |
| 2020 | DFT, anticancer, antioxidant and molecular docking investigations of some ternary Ni(II) complexes with 2‐[(E)‐[4‐(dimethylamino) phenyl]methyleneamino]phenol | Mohapatra, Ranjan K.; El‐ajaily, Marei M.; Alassbaly, Faten S.; Sarangi, Ashish K.; Das, Debadutta; Maihub, Abdussalam A.; Ben‐Gweirif, Salha F.; Mahal, Ahmed; Suleiman, M.; Perekhoda, L.; Azam, Mohammad; Al‐Noor, Taghreed H. |