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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
A computational investigation of the reactions of tyrosyl, tryptophanyl, and cysteinyl radicals with nitric oxide and molecular oxygen.
Pedron FN, Bartesaghi S, Estrin DA, Radi R, Zeida A.
Pedron FN, et al.
Free Radic Res. 2019 Jan;53(1):18-25. doi: 10.1080/10715762.2018.1541322. Epub 2018 Nov 23.
Free Radic Res. 2019.
PMID: 30468096
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Electron transfer pathways from quantum dynamics simulations.
Pedron FN, Issoglio F, Estrin DA, Scherlis DA.
Pedron FN, et al.
J Chem Phys. 2020 Dec 14;153(22):225102. doi: 10.1063/5.0023577.
J Chem Phys. 2020.
PMID: 33317287
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Experimental and Theoretical Study of the High-Temperature UV-Visible Spectra of Aqueous Hydroquinone and 1,4-Benzoquinone.
Samiee F, Pedron FN, Estrin DA, Trevani L.
Samiee F, et al. Among authors: pedron fn.
J Phys Chem B. 2016 Oct 13;120(40):10547-10552. doi: 10.1021/acs.jpcb.6b07893. Epub 2016 Sep 30.
J Phys Chem B. 2016.
PMID: 27627463
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Naturally occurring fluorescence in frogs.
Taboada C, Brunetti AE, Pedron FN, Carnevale Neto F, Estrin DA, Bari SE, Chemes LB, Peporine Lopes N, Lagorio MG, Faivovich J.
Taboada C, et al. Among authors: pedron fn.
Proc Natl Acad Sci U S A. 2017 Apr 4;114(14):3672-3677. doi: 10.1073/pnas.1701053114. Epub 2017 Mar 13.
Proc Natl Acad Sci U S A. 2017.
PMID: 28289227
Free PMC article.
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