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Exploring 129Xe NMR parameters for structural investigation of biomolecules: relativistic, solvent, and thermal effects.
J Mol Model. 2022 Nov 1;28(11):372. doi: 10.1007/s00894-022-05365-8.
J Mol Model. 2022.
PMID: 36318276
Pnictogen bond-driven control of the molecular interaction between organophosphorus and acetylcholinesterase enzyme.
Andolpho GA, Ramalho TC.
Andolpho GA, et al.
J Comput Chem. 2024 Jun 5;45(15):1303-1315. doi: 10.1002/jcc.27328. Epub 2024 Feb 16.
J Comput Chem. 2024.
PMID: 38363124
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Insights into the value of statistical models, solvent, and relativistic effects for investigating Re complexes of 2-(4'-aminophenyl)benzothiazole: a potential spectroscopic probe.
Andolpho GA, da Cunha EFF, Ramalho TC.
Andolpho GA, et al.
J Mol Model. 2022 May 17;28(6):154. doi: 10.1007/s00894-022-05146-3.
J Mol Model. 2022.
PMID: 35578053
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Hybrid Materials Based on Magnetic Iron Oxides with Benzothiazole Derivatives: A Plausible Potential Spectroscopy Probe.
Corrêa S, Rosa IA, Andolpho GA, Assis LC, Pires MDS, Lacerda LCT, Nogueira FGE, Cunha EFFD, Nepovimova E, Kuca K, Ramalho TC.
Corrêa S, et al. Among authors: andolpho ga.
Int J Mol Sci. 2021 Apr 12;22(8):3980. doi: 10.3390/ijms22083980.
Int J Mol Sci. 2021.
PMID: 33921510
Free PMC article.
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