Cerezo J - Search Results

1

Structure and spectroscopic properties of nickel benzazolate complexes with hydrotris(pyrazolyl)borate ligand.

López-Banet L, Santana MD, Piernas MJ, García G, Cerezo J, Requena A, Zúñiga J, Pérez J, García L. López-Banet L, et al. Among authors: cerezo j. Inorg Chem. 2014 Jun 2;53(11):5502-14. doi: 10.1021/ic5001655. Epub 2014 May 21. Inorg Chem. 2014. PMID: 24848344

2

Atomistic molecular dynamics simulations of the interactions of oleic and 2-hydroxyoleic acids with phosphatidylcholine bilayers.

Cerezo J, Zúñiga J, Bastida A, Requena A, Cerón-Carrasco JP. Cerezo J, et al. J Phys Chem B. 2011 Oct 13;115(40):11727-38. doi: 10.1021/jp203498x. Epub 2011 Sep 22. J Phys Chem B. 2011. PMID: 21882864

3

Antioxidant properties of β-carotene isomers and their role in photosystems: insights from Ab initio simulations.

Cerezo J, Zúñiga J, Bastida A, Requena A, Cerón-Carrasco JP, Eriksson LA. Cerezo J, et al. J Phys Chem A. 2012 Apr 5;116(13):3498-506. doi: 10.1021/jp301485k. Epub 2012 Mar 19. J Phys Chem A. 2012. PMID: 22404131

4

Conformational changes of β-carotene and zeaxanthin immersed in a model membrane through atomistic molecular dynamics simulations.

Cerezo J, Zúñiga J, Bastida A, Requena A, Cerón-Carrasco JP. Cerezo J, et al. Phys Chem Chem Phys. 2013 May 7;15(17):6527-38. doi: 10.1039/c3cp43947j. Phys Chem Chem Phys. 2013. PMID: 23532184

5

Labelling Herceptin with a novel oxaliplatin derivative: a computational approach towards the selective drug delivery.

Cerón-Carrasco JP, Cerezo J, Requena A, Zuñiga J, Contreras-García J, Chavan S, Manrubia-Cobo M, Pérez-Sánchez H. Cerón-Carrasco JP, et al. Among authors: cerezo j. J Mol Model. 2014 Sep;20(9):2401. doi: 10.1007/s00894-014-2401-7. Epub 2014 Aug 23. J Mol Model. 2014. PMID: 25149438

6

Harmonic Models in Cartesian and Internal Coordinates to Simulate the Absorption Spectra of Carotenoids at Finite Temperatures.

Cerezo J, Zúñiga J, Requena A, Ávila Ferrer FJ, Santoro F. Cerezo J, et al. J Chem Theory Comput. 2013 Nov 12;9(11):4947-58. doi: 10.1021/ct4005849. Epub 2013 Oct 9. J Chem Theory Comput. 2013. PMID: 26583413

7

Erratum: Harmonic Models in Cartesian and Internal Coordinates to Simulate the Absorption Spectra of Carotenoids at Finite Temperatures.

Cerezo J, Zúñiga J, Requena A, Ávila Ferrer FJ, Santoro F. Cerezo J, et al. J Chem Theory Comput. 2014 Aug 12;10(8):3586-7. doi: 10.1021/ct500588v. Epub 2014 Jul 23. J Chem Theory Comput. 2014. PMID: 26588323 No abstract available.

8

Structure, Spectra, and DFT Simulation of Nickel Benzazolate Complexes with Tris(2-aminoethyl)amine Ligand.

Cerezo J, Requena A, Zúñiga J, Piernas MJ, Santana MD, Pérez J, García L. Cerezo J, et al. Inorg Chem. 2017 Mar 20;56(6):3663-3673. doi: 10.1021/acs.inorgchem.7b00059. Epub 2017 Mar 2. Inorg Chem. 2017. PMID: 28252288

9

Energetic Self-Folding Mechanism in α-Helices.

Bastida A, Zúñiga J, Requena A, Cerezo J. Bastida A, et al. Among authors: cerezo j. J Phys Chem B. 2019 Oct 3;123(39):8186-8194. doi: 10.1021/acs.jpcb.9b05860. Epub 2019 Sep 23. J Phys Chem B. 2019. PMID: 31498638

10

Intraresidual Correlated Motions in Peptide Chains.

Bastida A, Carmona-García J, Zúñiga J, Requena A, Cerezo J. Bastida A, et al. Among authors: cerezo j. J Chem Inf Model. 2019 Nov 25;59(11):4524-4527. doi: 10.1021/acs.jcim.9b00842. Epub 2019 Nov 4. J Chem Inf Model. 2019. PMID: 31670959

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