| Identification of potent inhibitors of NEK7 protein using a comprehensive computational approach M Aziz, SA Ejaz, N Tamam, F Siddique, N Riaz, FA Qais, S Chtita, J Iqbal Scientific reports 12 (1), 6404, 2022 | 57 | 2022 |
| Comprehensive review on the Bis–heterocyclic compounds and their anticancer efficacy MHA Al-Jumaili, AA Hamad, HE Hashem, AD Hussein, MJ Muhaidi, ... Journal of Molecular Structure 1271, 133970, 2023 | 32 | 2023 |
| Conformational behavior and optical properties of a fluorophore dimer as a model of luminescent centers in carbon dots F Siddique, M Langer, M Paloncyova, M Medved’, M Otyepka, ... The Journal of Physical Chemistry C 124 (26), 14327-14337, 2020 | 27 | 2020 |
| Deep learning and structure-based virtual screening for drug discovery against NEK7: a novel target for the treatment of cancer M Aziz, SA Ejaz, S Zargar, N Akhtar, AT Aborode, T A. Wani, GES Batiha, ... Molecules 27 (13), 4098, 2022 | 22 | 2022 |
| Analysis and prediction pathways of natural products and their cytotoxicity against HeLa cell line protein using docking, molecular dynamics and ADMET MHA Al-Jumaili, F Siddique, F Abul Qais, HE Hashem, S Chtita, A Rani, ... Journal of Biomolecular Structure and Dynamics 41 (3), 765-777, 2023 | 18 | 2023 |
| The electronic transitions of analogs of red wine pyranoanthocyanin pigments F Siddique, CP Silva, GTM Silva, H Lischka, FH Quina, AJA Aquino Photochemical & Photobiological Sciences 18, 45-53, 2019 | 18 | 2019 |
| The effect of hydrogen bonding on the nonadiabatic dynamics of a thymine-water cluster H Lischka, M Barbatti, F Siddique, A Das, AJA Aquino Chemical Physics 515, 472-479, 2018 | 17 | 2018 |
| Computational investigation of 1, 3, 4 oxadiazole derivatives as lead inhibitors of VEGFR 2 in comparison with EGFR: Density functional theory, molecular docking and molecular … MS Bilal, SA Ejaz, S Zargar, N Akhtar, TA Wani, N Riaz, AT Aborode, ... Biomolecules 12 (11), 1612, 2022 | 16 | 2022 |
| Non-fullerene acceptor IDIC based on indacinodithiophene used as an electron donor for organic solar cells: a computational study D Nebbach, F Agda, S Kaya, F Siddique, T Lakhlifi, MA Ajana, ... Journal of Molecular Liquids 348, 118289, 2022 | 16 | 2022 |
| Vibration‐Regulated Multi‐State Long‐Lived Emission from Star‐Shaped Molecules PTY Yiran Li,Dr. Glib V. Baryshnikov,Dr. Farhan Siddique,Dr. Peng Wei,Prof ... Angewandte Chemie, 2022 | 15* | 2022 |
| Triple-columned and multiple-layered 3D polymers: Design, synthesis, aggregation-induced emission (AIE), and computational study G Wu, Y Liu, Z Yang, L Ma, Y Tang, X Zhao, H Rouh, Q Zheng, P Zhou, ... Research, 2021 | 15 | 2021 |
| Chemical characterization and evaluation of the neuroprotective potential of Indigofera sessiliflora through in-silico studies and behavioral tests in scopolamine-induced … MS Haider, W Ashraf, S Javaid, MF Rasool, HMA Rahman, H Saleem, ... Saudi Journal of Biological Sciences 28 (8), 4384-4398, 2021 | 14 | 2021 |
| Nonadiabatic dynamics of charge-transfer states using the anthracene–tetracyanoethylene complex as a prototype F Siddique, M Barbatti, Z Cui, H Lischka, AJA Aquino The Journal of Physical Chemistry A 124 (17), 3347-3357, 2020 | 14 | 2020 |
| Chromophores inspired by the colors of fruit, flowers and wine CP Silva, GTM Silva, TS Costa, VMT Carneiro, F Siddique, AJA Aquino, ... Pure and Applied Chemistry 92 (2), 255-263, 2020 | 12 | 2020 |
| Identification of NEK7 inhibitors: structure based virtual screening, molecular docking, density functional theory calculations and molecular dynamics simulations M Aziz, SA Ejaz, HM Rehman, ASA Alsubaie, KH Mahmoud, F Siddique, ... Journal of Biomolecular Structure and Dynamics 41 (14), 6894-6908, 2023 | 11 | 2023 |
| Molecular dynamics simulation of the excited-state proton transfer mechanism in 3-hydroxyflavone using explicit hydration models Y Li, F Siddique, AJA Aquino, H Lischka The Journal of Physical Chemistry A 125 (26), 5765-5778, 2021 | 11 | 2021 |
| Design, synthesis, spectroscopic characterization, in-vitro antibacterial evaluation and in-silico analysis of polycaprolactone containing chitosan-quercetin … M Azeem, M Hanif, K Mahmood, F Siddique, HE Hashem, M Aziz, ... Journal of Biomolecular Structure and Dynamics 41 (15), 7084-7103, 2023 | 10 | 2023 |
| Discovery of phenylcarbamoylazinane-1, 2, 4-triazole amides derivatives as the potential inhibitors of aldo-keto reductases (AKR1B1 & AKRB10): Potential lead molecules for … A Saeed, SA Ejaz, M Sarfraz, N Tamam, F Siddique, N Riaz, FA Qais, ... Molecules 27 (13), 3981, 2022 | 9 | 2022 |
| The integrin facilitated internalization of fibronectin-functionalized camptothecin-loaded DNA-nanofibers for high-efficiency anticancer effects MMFA Baig, WF Lai, S Ashraf, A Saleem, MF Akhtar, R Mikrani, M Naveed, ... Drug Delivery and Translational Research 10, 1381-1392, 2020 | 9 | 2020 |
| A computational study of the ground and excited state acidities of synthetic analogs of red wine pyranoanthocyanins J Wang, F Siddique, AA Freitas, CP Silva, GTM Silva, FH Quina, ... Theoretical Chemistry Accounts 139, 1-11, 2020 | 9 | 2020 |
Adelia AquinoAssociate Professor of Practice at Texas Tech University, Lubbock, TXAdresse e-mail validée de univie.ac.at
