Ferino-Pérez A - Search Results

1

Explaining the interaction of mangiferin with MMP-9 and NF-ƙβ: a computational study.

Gálvez-Rodríguez A, Ferino-Pérez A, Rodríguez-Riera Z, Rodeiro Guerra I, Řeha D, Minofar B, Jáuregui-Haza UJ. Gálvez-Rodríguez A, et al. Among authors: ferino perez a. J Mol Model. 2022 Aug 20;28(9):266. doi: 10.1007/s00894-022-05260-2. J Mol Model. 2022. PMID: 35987945

2

Theoretical study on the interactions between chlordecone hydrate and acidic surface groups of activated carbon under basic pH conditions.

Melchor-Rodríguez K, Gamboa-Carballo JJ, Ferino-Pérez A, Passé-Coutrin N, Gaspard S, Jáuregui-Haza UJ. Melchor-Rodríguez K, et al. J Mol Graph Model. 2018 May;81:146-154. doi: 10.1016/j.jmgm.2018.02.012. Epub 2018 Mar 9. J Mol Graph Model. 2018. PMID: 29554491

3

Explaining the interactions between metaldehyde and acidic surface groups of activated carbon under different pH conditions.

Ferino-Pérez A, Gamboa-Carballo JJ, Li Z, Campos LC, Jáuregui-Haza U. Ferino-Pérez A, et al. J Mol Graph Model. 2019 Jul;90:94-103. doi: 10.1016/j.jmgm.2019.04.006. Epub 2019 Apr 21. J Mol Graph Model. 2019. PMID: 31035099

4

Guest-host complexes of 1-iodochlordecone and β-1-iodo-pentachlorocyclohexane with cyclodextrins as radiotracers of organochlorine pesticides in polluted water.

Jáuregui-Haza U, Ferino-Pérez A, Gamboa-Carballo JJ, Gaspard S. Jáuregui-Haza U, et al. Among authors: ferino perez a. Environ Sci Pollut Res Int. 2020 Nov;27(33):41105-41116. doi: 10.1007/s11356-020-07862-w. Epub 2020 Feb 13. Environ Sci Pollut Res Int. 2020. PMID: 32052338

5

Theoretical Evaluation of the Molecular Inclusion Process between Chlordecone and Cyclodextrins: A New Method for Mitigating the Basis Set Superposition Error in the Case of an Implicit Solvation Model.

Gamboa-Carballo JJ, Ferino-Pérez A, Rana VK, Levalois-Grützmacher J, Gaspard S, Montero-Cabrera LA, Jáuregui-Haza UJ. Gamboa-Carballo JJ, et al. Among authors: ferino perez a. J Chem Inf Model. 2020 Apr 27;60(4):2115-2125. doi: 10.1021/acs.jcim.9b01064. Epub 2020 Mar 16. J Chem Inf Model. 2020. PMID: 32105472

6

Role of Basic Surface Groups of Activated Carbon in Chlordecone and β-Hexachlorocyclohexane Adsorption: A Molecular Modelling Study.

Melchor-Rodríguez K, Carmenate-Rodríguez C, Ferino-Pérez A, Gaspard S, Jáuregui-Haza UJ. Melchor-Rodríguez K, et al. Among authors: ferino perez a. Molecules. 2021 Nov 18;26(22):6969. doi: 10.3390/molecules26226969. Molecules. 2021. PMID: 34834061 Free PMC article.

7

In silico development of new PET radiopharmaceuticals from mTOR inhibitors.

Ferino-Pérez A, Vélayoudom FL, Belia L, Glaude EL, Gaspard S, Jáuregui-Haza UJ. Ferino-Pérez A, et al. J Mol Graph Model. 2022 Mar;111:108057. doi: 10.1016/j.jmgm.2021.108057. Epub 2021 Nov 24. J Mol Graph Model. 2022. PMID: 34847519

8

Evaluation of the molecular inclusion process of β-hexachlorocyclohexane in cyclodextrins.

Ferino-Pérez A, Gamboa-Carballo JJ, Ranguin R, Levalois-Grützmacher J, Bercion Y, Gaspard S, Miranda-Quintana RA, Arias M, Jáuregui-Haza UJ. Ferino-Pérez A, et al. RSC Adv. 2019 Sep 2;9(47):27484-27499. doi: 10.1039/c9ra04431k. eCollection 2019 Aug 29. RSC Adv. 2019. PMID: 35529240 Free PMC article.

9

Competitive formation of molecular inclusion complexes of chlordecone and β-hexachlorocyclohexane with natural cyclodextrins: DFT and molecular dynamics study.

Ferino-Pérez A, Portorreal Q, Gamboa-Carballo JJ, Minofar B, Gaspard S, Jaúregui-Haza UJ. Ferino-Pérez A, et al. J Mol Model. 2023 Jun 2;29(6):196. doi: 10.1007/s00894-023-05600-w. J Mol Model. 2023. PMID: 37266689

10

The Auger spectrum of benzene.

Jayadev NK, Ferino-Pérez A, Matz F, Krylov AI, Jagau TC. Jayadev NK, et al. Among authors: ferino perez a. J Chem Phys. 2023 Feb 14;158(6):064109. doi: 10.1063/5.0138674. J Chem Phys. 2023. PMID: 36792526

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