Mejía SM - Search Results

1

Structural and functional computational analysis of nicotine analogs as potential neuroprotective compounds in Parkinson disease.

Becerra GP, Rojas-Rodríguez F, Ramírez D, Loaiza AE, Tobar-Tosse F, Mejía SM, González J. Becerra GP, et al. Among authors: mejia sm. Comput Biol Chem. 2020 Jun;86:107266. doi: 10.1016/j.compbiolchem.2020.107266. Epub 2020 Apr 21. Comput Biol Chem. 2020. PMID: 32388154 Free article.

2

Experimental and theoretical study of the mechanism and rate constants of the sequential 5-exo-trig spirocyclization involving vinyl, aryl and N-alkoxyaminyl radicals.

Bejarano CA, Díaz JE, Cifuentes-López A, López LV, Jaramillo-Gómez LM, Buendia-Atencio C, Lorett Velásquez VP, Mejía SM, Loaiza AE. Bejarano CA, et al. Among authors: mejia sm. Org Biomol Chem. 2022 May 26;20(20):4141-4154. doi: 10.1039/d2ob00387b. Org Biomol Chem. 2022. PMID: 35521783

3

Reaction Mechanism of the Isomerization of Monoterpene Epoxides with Fe³⁺ as Active Catalytic Specie: A Computational Approach.

Sánchez-Velandia JE, Mejía SM, Villa AL. Sánchez-Velandia JE, et al. Among authors: mejia sm. J Phys Chem A. 2020 May 14;124(19):3761-3769. doi: 10.1021/acs.jpca.9b09622. Epub 2020 Apr 30. J Phys Chem A. 2020. PMID: 32023051

4

Looking for the Azeotrope: A Computational Study of (Ethanol)₆-Water, (Methanol)₆-Water, (Ethanol)₇, and (Methanol)₇ Heptamers.

Chacón KN, Espinal JF, Montero-Campillo MM, Yáñez M, Mejía SM. Chacón KN, et al. Among authors: mejia sm. J Phys Chem A. 2020 Sep 3;124(35):7080-7087. doi: 10.1021/acs.jpca.0c05362. Epub 2020 Aug 20. J Phys Chem A. 2020. PMID: 32786982

5

The role of OH…O and CH…O hydrogen bonds and H…H interactions in ethanol/methanol-water heterohexamers.

Mejía SM, Espinal JF, Mills MJ, Mondragón F. Mejía SM, et al. J Mol Model. 2016 Aug;22(8):181. doi: 10.1007/s00894-016-3050-9. Epub 2016 Jul 14. J Mol Model. 2016. PMID: 27417312

6

A Theoretical Analysis of Interaction Energies and Intermolecular Interactions between Amphotericin B and Potential Bioconjugates Used in the Modification of Nanocarriers for Drug Delivery.

Cuellar J, Parada-Díaz L, Garza J, Mejía SM. Cuellar J, et al. Among authors: mejia sm. Molecules. 2023 Mar 15;28(6):2674. doi: 10.3390/molecules28062674. Molecules. 2023. PMID: 36985646 Free PMC article.

7

Understanding the azeotropic diethyl carbonate-water mixture by structural and energetic characterization of DEC(H2O)(n) heteroclusters.

Ripoll JD, Mejía SM, Mills MJ, Villa AL. Ripoll JD, et al. Among authors: mejia sm. J Mol Model. 2015 Apr;21(4):93. doi: 10.1007/s00894-015-2593-5. Epub 2015 Mar 19. J Mol Model. 2015. PMID: 25786831

8

Thermodynamics of the Isomerization of Monoterpene Epoxides.

Sánchez-Velandia JE, Becerra JA, Mejía SM, Villa AL, Martínez O F. Sánchez-Velandia JE, et al. Among authors: mejia sm. ACS Omega. 2021 Dec 9;6(50):34206-34218. doi: 10.1021/acsomega.1c03049. eCollection 2021 Dec 21. ACS Omega. 2021. PMID: 34963907 Free PMC article.

9

Molecular interaction of (ethanol)2-water heterotrimers.

Mejía SM, Espinal JF, Restrepo A, Mondragón F. Mejía SM, et al. J Phys Chem A. 2007 Aug 23;111(33):8250-6. doi: 10.1021/jp073168g. Epub 2007 Aug 1. J Phys Chem A. 2007. PMID: 17665885

10

The dynamic behavior of a liquid ethanol-water mixture: a perspective from quantum chemical topology.

Mejía SM, Mills MJ, Shaik MS, Mondragon F, Popelier PL. Mejía SM, et al. Phys Chem Chem Phys. 2011 May 7;13(17):7821-33. doi: 10.1039/c0cp02869j. Epub 2011 Mar 25. Phys Chem Chem Phys. 2011. PMID: 21437345

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