| DFT, QTAIM, and NBO studies on the trimeric interactions in the protrusion domain of a piscine betanodavirus EK Astani, NC Chen, YC Huang, A Bahrami, LY Chen, PR Lin, HH Guan, ... Journal of Molecular Graphics and Modelling 78, 61-73, 2017 | 9 | 2017 |
| Molecular interactions investigated with DFT calculations of QTAIM and NBO analyses: An application to dimeric structures of rice α-amylase/subtilisin inhibitor EK Astani, NL Hadipour, CJ Chen Chemical Physics Letters 672, 80-88, 2017 | 9 | 2017 |
| Organic and total mercury concentration in fish muscle and thermodynamic study of organic mercury extraction in fish protein E Astani, M Vahedpour, H Babaei Ecopersia 4 (3), 1517-1526, 2016 | 8 | 2016 |
| A theoretical study on the characteristics of the intermolecular interactions in the active site of human androsterone sulphotransferase: DFT calculations of NQR and NMR … EK Astani, E Heshmati, CJ Chen, NL Hadipour Journal of Molecular Graphics and Modelling 68, 14-22, 2016 | 7 | 2016 |
| Theoretical Study of Intermolecular Interactions between Critical Residues of Membrane Protein MraYAA and Promising Antibiotic Muraymycin D2 S Malek Zadeh, EK Astani, ZC Wang, K Adhikari, R Rattinam, TL Li ACS omega 5 (36), 22739-22749, 2020 | 5 | 2020 |
| Determination of the total mercury concentration in the Anzali international Wetland, Iran and effect of environmental parameters on its concentration E Astani, M Vahedpour, H Babaei, M Karimipour Research Journal of Chemistry and Environment 15 (2), 1-10, 2011 | 5 | 2011 |
| Characterization of Dimeric Interactions within Protrusion-Domain Interfaces of Parallel and X-Shaped Conformations of Macrobrachium rosenbergii Nodavirus: A … EK Astani, NC Chen, YC Huang, S Ersali, PJ Lin, HH Guan, CC Lin, ... ACS omega 5 (7), 3428-3443, 2020 | 4 | 2020 |
| A study of hydrogen bond effects on the oxygen, nitrogen, and hydrogen electric field gradient tensors in the active site of human dehydroepiandrosterone sulphotransferase: A … E Astani, E Heshmati, CJ Chen, NL Hadipour, S Shekarsaraei Chemical Physics Letters 653, 78-84, 2016 | 4 | 2016 |
| β-Hydroxylation of α-amino-β-hydroxylbutanoyl-glycyluridine catalyzed by a nonheme hydroxylase ensures the maturation of caprazamycin SM Zadeh, MH Chen, ZC Wang, EK Astani, IW Lo, KH Lin, NS Hsu, ... Communications Chemistry 5 (1), 87, 2022 | 3 | 2022 |
| Intermolecular Interactions of Nucleoside Antibiotic Tunicamycin with On-Target MraYCB-TUN and Off-Target DPAGT1-TUN in the Active Sites Delineated by … EK Astani, S Malek Zadeh, NS Hsu, KH Lin, S Sardari, TL Li ACS omega 7 (37), 32970-32987, 2022 | 2 | 2022 |
| Noncovalent intermolecular interactions between dehydroepiandrosterone and the active site of human dehydroepiandrosterone sulphotransferase: A density functional theory based … E Astani, E Heshmati, CJ Chen, NL Hadipour, S Shekarsaraei Chemical Physics Letters 649, 123-129, 2016 | 2 | 2016 |
| Determination and evaluation of secondary structure content derived from calcium-induced conformational changes in wild-type and mutant mnemiopsin 2 by synchrotron-based … EK Astani, S Ersali, YC Lee, PJ Lin, YC Huang, PY Huang, V Jafarian, ... Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1868 (12), 140528, 2020 | 1 | 2020 |
| Thermodynamic Study of the Extraction of Inorganic Mercury Compounds in Fish Species of the International Anzali wetland, Iran E Astani, M Vahedpour, L Dolatyari Chinese Journal of Chemistry 29 (7), 1341-1346, 2011 | 1 | 2011 |
| DFT QM/MM MD Calculations to Identify Intermolecular Interactions within the Active Sites of MraYAA Bound to Antibiotics Capuramycin, Carbacaprazamycin, and … EK Astani, S Malek Zadeh, S Sardari, M Khosravian ChemistrySelect 8 (46), e202302657, 2023 | | 2023 |
| Characterization of the dimeric interactions of dimeric and tetrameric conformations of the PvNV protrusion-domain using a mixed DFT/QTAIM approach EK Astani, NC Chen, YC Huang, S Ersali, PJ Lin, HH Guan, CC Lin, ... bioRxiv, 2020.02. 20.957316, 2020 | | 2020 |
