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An overview about the impact of hinge region towards the anticancer binding affinity of the Ck2 ligands: a quantum chemical analysis.
J Biomol Struct Dyn. 2019 Sep;37(15):3859-3876. doi: 10.1080/07391102.2018.1533498. Epub 2018 Dec 5.
J Biomol Struct Dyn. 2019.
PMID: 30301411
Understanding the potency of malarial ligand (D44) in plasmodium FKBP35 and modelled halogen atom (Br, Cl, F) functional groups.
Deepa P, Thirumeignanam D.
Deepa P, et al. Among authors: thirumeignanam d.
J Mol Graph Model. 2020 Jun;97:107553. doi: 10.1016/j.jmgm.2020.107553. Epub 2020 Jan 31.
J Mol Graph Model. 2020.
PMID: 32035313
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Rising trend on the halogen and non-halogen derivatives (Br, Cl, CF3, F, CH3 and NH2) in ruminal β-d-Xylopyranose - a quantum chemical perspective.
Deepa P, Thirumeignanam D.
Deepa P, et al. Among authors: thirumeignanam d.
J Biomol Struct Dyn. 2022 Jan;40(1):449-467. doi: 10.1080/07391102.2020.1815577. Epub 2020 Sep 3.
J Biomol Struct Dyn. 2022.
PMID: 32880211
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Understanding the impact of anticancer halogenated inhibitors and various functional groups (X = Cl, F, CF3, CH3, NH2, OH, H) of casein kinase 2 (CK2).
Deepa P, Thirumeignanam D.
Deepa P, et al. Among authors: thirumeignanam d.
J Biomol Struct Dyn. 2022 Jul;40(11):5036-5052. doi: 10.1080/07391102.2020.1866075. Epub 2020 Dec 29.
J Biomol Struct Dyn. 2022.
PMID: 33375908
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Evaluation of Natural Antimicrobial Substances Blend as a Replacement for Antibiotic Growth Promoters in Broiler Chickens: Enhancing Growth and Managing Intestinal Bacterial Diseases.
Thirumeignanam D, Chellapandian M, Arulnathan N, Parthiban S, Kumar V, Vijayakumar MP, Chauhan S.
Thirumeignanam D, et al.
Curr Microbiol. 2024 Jan 8;81(2):55. doi: 10.1007/s00284-023-03573-w.
Curr Microbiol. 2024.
PMID: 38191691
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Understanding the impact of halogen functional group (Br, Cl, F, OH) in amprenavir ligand of the HIV protease.
Deepa P, Thirumeignanam D.
Deepa P, et al. Among authors: thirumeignanam d.
J Biomol Struct Dyn. 2023;41(21):12157-12170. doi: 10.1080/07391102.2023.2166121. Epub 2023 Jan 16.
J Biomol Struct Dyn. 2023.
PMID: 36645135
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