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Year | Number of Results |
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Page 1
Novel Lennard-Jones Parameters for Cysteine and Selenocysteine in the AMBER Force Field.
J Chem Inf Model. 2023 Jan 23;63(2):595-604. doi: 10.1021/acs.jcim.2c01104. Epub 2023 Jan 11.
J Chem Inf Model. 2023.
PMID: 36630702
Nitric oxide binding to ferrous nitrobindins: A computer simulation investigation.
Messias A, Pasquadibisceglie A, Alonso de Armiño D, De Simone G, Polticelli F, Coletta M, Ascenzi P, Estrin DA.
Messias A, et al.
J Inorg Biochem. 2023 Nov;248:112336. doi: 10.1016/j.jinorgbio.2023.112336. Epub 2023 Aug 5.
J Inorg Biochem. 2023.
PMID: 37572543
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Assessing the impact of valence asymmetry in ionic solutions and its consequences on the performance of supercapacitors.
Messias A, Fileti EE.
Messias A, et al.
Phys Chem Chem Phys. 2022 Aug 31;24(34):20445-20453. doi: 10.1039/d2cp00348a.
Phys Chem Chem Phys. 2022.
PMID: 35984412
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The tug of war between Al3+ and Na+ for order-disorder transitions in lipid-A membranes.
Messias A, Santos DES, Pontes FJS, Soares TA.
Messias A, et al.
Phys Chem Chem Phys. 2021 Jul 21;23(28):15127-15137. doi: 10.1039/d1cp02173g.
Phys Chem Chem Phys. 2021.
PMID: 34254086
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Out of Sight, Out of Mind: The Effect of the Equilibration Protocol on the Structural Ensembles of Charged Glycolipid Bilayers.
Messias A, Santos DES, Pontes FJS, Lima FS, Soares TA.
Messias A, et al.
Molecules. 2020 Nov 4;25(21):5120. doi: 10.3390/molecules25215120.
Molecules. 2020.
PMID: 33158044
Free PMC article.
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Salt-in-water and water-in-salt electrolytes: the effects of the asymmetry in cation and anion valence on their properties.
Messias A, C da Silva DA, Fileti EE.
Messias A, et al.
Phys Chem Chem Phys. 2021 Dec 22;24(1):336-346. doi: 10.1039/d1cp04259a.
Phys Chem Chem Phys. 2021.
PMID: 34889921
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