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2021 | 1 |
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Page 1
Ethyl 2-amino-4-methyl-thio-phene-3-carboxyl-ate.
IUCrdata. 2021 Apr 9;6(Pt 4):x210351. doi: 10.1107/S2414314621003515. eCollection 2021 Apr.
IUCrdata. 2021.
PMID: 36339105
Free PMC article.
Evaluation of experimental, computational, molecular docking and dynamic simulation of flucytosine.
Agarwal N, Fatima A, Bhattacharya P, Muthu S, Arora H, Siddiqui N, Javed S.
Agarwal N, et al. Among authors: fatima a.
J Biomol Struct Dyn. 2023 Dec;41(20):10430-10449. doi: 10.1080/07391102.2022.2159530. Epub 2022 Dec 23.
J Biomol Struct Dyn. 2023.
PMID: 36562198
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Exploring quantum computational, molecular docking, and molecular dynamics simulation with MMGBSA studies of ethyl-2-amino-4-methyl thiophene-3-carboxylate.
Fatima A, Khanum G, Srivastava SK, Bhattacharya P, Ali A, Arora H, Siddiqui N, Javed S.
Fatima A, et al.
J Biomol Struct Dyn. 2023 Dec;41(20):10411-10429. doi: 10.1080/07391102.2023.2180667. Epub 2023 Feb 21.
J Biomol Struct Dyn. 2023.
PMID: 37942665
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Crystal Structure, Topology, DFT and Hirshfeld Surface Analysis of a Novel Charge Transfer Complex (L3) of Anthraquinone and 4-{[(anthracen-9-yl)meth-yl] amino}-benzoic Acid (L2) Exhibiting Photocatalytic Properties: An Experimental and Theoretical Approach.
Ahmed A, Fatima A, Shakya S, Rahman QI, Ahmad M, Javed S, AlSalem HS, Ahmad A.
Ahmed A, et al. Among authors: fatima a.
Molecules. 2022 Mar 6;27(5):1724. doi: 10.3390/molecules27051724.
Molecules. 2022.
PMID: 35268825
Free PMC article.
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Quantum Computational, Spectroscopic (FT-IR, FT-Raman, NMR, and UV-Vis) Hirshfeld Surface and Molecular Docking-Dynamics Studies on 5-Hydroxymethyluracil (Monomer and Trimer).
Kumar M, Jaiswar G, Afzal M, Muddassir M, Alarifi A, Fatima A, Siddiqui N, Ayub R, Abduh NAY, Saeed WS, Javed S.
Kumar M, et al. Among authors: fatima a.
Molecules. 2023 Feb 24;28(5):2116. doi: 10.3390/molecules28052116.
Molecules. 2023.
PMID: 36903362
Free PMC article.
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