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β-Hydroxylation of α-amino-β-hydroxylbutanoyl-glycyluridine catalyzed by a nonheme hydroxylase ensures the maturation of caprazamycin.
Commun Chem. 2022 Jul 28;5(1):87. doi: 10.1038/s42004-022-00703-6.
Commun Chem. 2022.
PMID: 36697788
Free PMC article.
Intermolecular Interactions of Nucleoside Antibiotic Tunicamycin with On-Target MraYCB-TUN and Off-Target DPAGT1-TUN in the Active Sites Delineated by Quantum Mechanics/Molecular Mechanics Calculations.
Astani EK, Malek Zadeh S, Hsu NS, Lin KH, Sardari S, Li TL.
Astani EK, et al.
ACS Omega. 2022 Sep 6;7(37):32970-32987. doi: 10.1021/acsomega.2c02213. eCollection 2022 Sep 20.
ACS Omega. 2022.
PMID: 36157785
Free PMC article.
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Theoretical Study of Intermolecular Interactions between Critical Residues of Membrane Protein MraYAA and Promising Antibiotic Muraymycin D2.
Malek Zadeh S, Astani EK, Wang ZC, Adhikari K, Rattinam R, Li TL.
Malek Zadeh S, et al. Among authors: astani ek.
ACS Omega. 2020 Sep 2;5(36):22739-22749. doi: 10.1021/acsomega.0c01551. eCollection 2020 Sep 15.
ACS Omega. 2020.
PMID: 32954121
Free PMC article.
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Determination and evaluation of secondary structure content derived from calcium-induced conformational changes in wild-type and mutant mnemiopsin 2 by synchrotron-based Fourier-transform infrared spectroscopy.
Astani EK, Ersali S, Lee YC, Lin PJ, Huang YC, Huang PY, Jafarian V, Hosseinkhani S, Chen CJ.
Astani EK, et al.
Biochim Biophys Acta Proteins Proteom. 2020 Dec;1868(12):140528. doi: 10.1016/j.bbapap.2020.140528. Epub 2020 Aug 25.
Biochim Biophys Acta Proteins Proteom. 2020.
PMID: 32853773
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Characterization of Dimeric Interactions within Protrusion-Domain Interfaces of Parallel and X-Shaped Conformations of Macrobrachium rosenbergii Nodavirus: A Theoretical Study Using the DFT Method along with QTAIM and NBO Analyses.
Astani EK, Chen NC, Huang YC, Ersali S, Lin PJ, Guan HH, Lin CC, Chuankhayan P, Chen CJ.
Astani EK, et al.
ACS Omega. 2020 Feb 13;5(7):3428-3443. doi: 10.1021/acsomega.9b03697. eCollection 2020 Feb 25.
ACS Omega. 2020.
PMID: 32118157
Free PMC article.
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DFT, QTAIM, and NBO studies on the trimeric interactions in the protrusion domain of a piscine betanodavirus.
Astani EK, Chen NC, Huang YC, Bahrami A, Chen LY, Lin PR, Guan HH, Lin CC, Chuankhayan P, Hadipour NL, Chen CJ.
Astani EK, et al.
J Mol Graph Model. 2017 Nov;78:61-73. doi: 10.1016/j.jmgm.2017.09.020. Epub 2017 Oct 3.
J Mol Graph Model. 2017.
PMID: 29032052
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A theoretical study on the characteristics of the intermolecular interactions in the active site of human androsterone sulphotransferase: DFT calculations of NQR and NMR parameters and QTAIM analysis.
Astani EK, Heshmati E, Chen CJ, Hadipour NL.
Astani EK, et al.
J Mol Graph Model. 2016 Jul;68:14-22. doi: 10.1016/j.jmgm.2016.06.002. Epub 2016 Jun 8.
J Mol Graph Model. 2016.
PMID: 27337388
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