Frau J - Search Results

1

Editorial: Recent advances, new perspectives and applications of conceptual density functional theory.

Flores-Holguín N, Frau J, Glossman-Mitnik D. Flores-Holguín N, et al. Among authors: frau j. Front Chem. 2022 Sep 9;10:1003106. doi: 10.3389/fchem.2022.1003106. eCollection 2022. Front Chem. 2022. PMID: 36157034 Free PMC article. No abstract available.

2

A Molecular Electron Density Theory Study of the Chemical Reactivity of Cis- and Trans-Resveratrol.

Frau J, Muñoz F, Glossman-Mitnik D. Frau J, et al. Molecules. 2016 Dec 1;21(12):1650. doi: 10.3390/molecules21121650. Molecules. 2016. PMID: 27916959 Free PMC article.

3

A conceptual DFT study of the molecular properties of glycating carbonyl compounds.

Frau J, Glossman-Mitnik D. Frau J, et al. Chem Cent J. 2017 Jan 23;11:8. doi: 10.1186/s13065-017-0239-7. eCollection 2017. Chem Cent J. 2017. PMID: 28123450 Free PMC article.

4

Chemical Reactivity Theory Study of Advanced Glycation Endproduct Inhibitors.

Frau J, Glossman-Mitnik D. Frau J, et al. Molecules. 2017 Feb 2;22(2):226. doi: 10.3390/molecules22020226. Molecules. 2017. PMID: 28157169 Free PMC article.

5

Computational Prediction of the Protonation Sites of Ac-Lys-(Ala)n-Lys-NH2 Peptides through Conceptual DFT Descriptors.

Sastre S, Frau J, Glossman-Mitnik D. Sastre S, et al. Among authors: frau j. Molecules. 2017 Mar 13;22(3):458. doi: 10.3390/molecules22030458. Molecules. 2017. PMID: 28335381 Free PMC article.

6

Conceptual DFT Descriptors of Amino Acids with Potential Corrosion Inhibition Properties Calculated with the Latest Minnesota Density Functionals.

Frau J, Glossman-Mitnik D. Frau J, et al. Front Chem. 2017 Mar 16;5:16. doi: 10.3389/fchem.2017.00016. eCollection 2017. Front Chem. 2017. PMID: 28361050 Free PMC article.

7

Molecular Reactivity and Absorption Properties of Melanoidin Blue-G1 through Conceptual DFT.

Frau J, Glossman-Mitnik D. Frau J, et al. Molecules. 2018 Mar 2;23(3):559. doi: 10.3390/molecules23030559. Molecules. 2018. PMID: 29498665 Free PMC article.

8

Conceptual DFT Study of the Local Chemical Reactivity of the Colored BISARG Melanoidin and Its Protonated Derivative.

Frau J, Glossman-Mitnik D. Frau J, et al. Front Chem. 2018 May 1;6:136. doi: 10.3389/fchem.2018.00136. eCollection 2018. Front Chem. 2018. PMID: 29765937 Free PMC article.

9

Blue M2: an intermediate melanoidin studied via conceptual DFT.

Frau J, Glossman-Mitnik D. Frau J, et al. J Mol Model. 2018 May 31;24(6):138. doi: 10.1007/s00894-018-3673-0. J Mol Model. 2018. PMID: 29855721

10

Chemical Reactivity Properties, pK_a Values, AGEs Inhibitor Abilities and Bioactivity Scores of the Mirabamides A⁻H Peptides of Marine Origin Studied by Means of Conceptual DFT.

Frau J, Flores-Holguín N, Glossman-Mitnik D. Frau J, et al. Mar Drugs. 2018 Aug 28;16(9):302. doi: 10.3390/md16090302. Mar Drugs. 2018. PMID: 30154377 Free PMC article.

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