García-Fandiño R - Search Results

1

Addressing the complexities in measuring cyclodextrin-sterol binding constants: A multidimensional study.

Anderson AM, Manet I, Malanga M, Clemens DM, Sadrerafi K, Piñeiro Á, García-Fandiño R, O'Connor MS. Anderson AM, et al. Carbohydr Polym. 2024 Jan 1;323:121360. doi: 10.1016/j.carbpol.2023.121360. Epub 2023 Sep 9. Carbohydr Polym. 2024. PMID: 37940263 Free article.

2

Self-Sorting of cyclic peptide homodimers into a heterodimeric assembly featuring an efficient photoinduced intramolecular electron-transfer process.

Aragay G, Ventura B, Guerra A, Pintre I, Chiorboli C, García-Fandiño R, Flamigni L, Granja JR, Ballester P. Aragay G, et al. Chemistry. 2014 Mar 17;20(12):3427-38. doi: 10.1002/chem.201304200. Chemistry. 2014. PMID: 24677609

3

A Single Mutation is Sufficient to Modify the Metal Selectivity and Specificity of a Eukaryotic Manganese Superoxide Dismutase to Encompass Iron.

Hunter T, Bonetta R, Sacco A, Vella M, Sultana PM, Trinh CH, Fadia HBR, Borowski T, Garcia-Fandiño R, Stockner T, Hunter GJ. Hunter T, et al. Chemistry. 2018 Apr 6;24(20):5303-5308. doi: 10.1002/chem.201704655. Epub 2017 Dec 12. Chemistry. 2018. PMID: 29178484 Free PMC article.

4

Designing biomimetic pores based on carbon nanotubes.

García-Fandiño R, Sansom MS. García-Fandiño R, et al. Proc Natl Acad Sci U S A. 2012 May 1;109(18):6939-44. doi: 10.1073/pnas.1119326109. Epub 2012 Apr 16. Proc Natl Acad Sci U S A. 2012. PMID: 22509000 Free PMC article.

5

Theoretical characterization of the dynamical behavior and transport properties of alpha,gamma-peptide nanotubes in solution.

García-Fandiño R, Granja JR, D'Abramo M, Orozco M. García-Fandiño R, et al. J Am Chem Soc. 2009 Nov 4;131(43):15678-86. doi: 10.1021/ja903400n. J Am Chem Soc. 2009. PMID: 19860480

6

Molecular dynamics simulations for designing biomimetic pores based on internally functionalized self-assembling α,γ-peptide nanotubes.

Calvelo M, Vázquez S, García-Fandiño R. Calvelo M, et al. Phys Chem Chem Phys. 2015 Nov 21;17(43):28586-601. doi: 10.1039/c5cp04200c. Phys Chem Chem Phys. 2015. PMID: 26443433

7

Lipid Bilayer Membrane Perturbation by Embedded Nanopores: A Simulation Study.

Garcia-Fandiño R, Piñeiro Á, Trick JL, Sansom MS. Garcia-Fandiño R, et al. ACS Nano. 2016 Mar 22;10(3):3693-701. doi: 10.1021/acsnano.6b00202. Epub 2016 Mar 9. ACS Nano. 2016. PMID: 26943498

8

Cyclo-lib: a database of computational molecular dynamics simulations of cyclodextrins.

Mixcoha E, Rosende R, Garcia-Fandino R, Piñeiro Á. Mixcoha E, et al. Bioinformatics. 2016 Nov 1;32(21):3371-3373. doi: 10.1093/bioinformatics/btw289. Epub 2016 Jun 27. Bioinformatics. 2016. PMID: 27354697

9

GADDLE Maps: General Algorithm for Discrete Object Deformations Based on Local Exchange Maps.

Otero-Mato JM, Montes-Campos H, Calvelo M, García-Fandiño R, Gallego LJ, Piñeiro Á, Varela LM. Otero-Mato JM, et al. J Chem Theory Comput. 2018 Feb 13;14(2):466-478. doi: 10.1021/acs.jctc.7b00861. Epub 2018 Jan 9. J Chem Theory Comput. 2018. PMID: 29257870

10

Rings, Hexagons, Hetals, and Dipolar Moment Sink-Sources: The Fanciful Behavior of Water around Cyclodextrin Complexes.

F Garrido P, Calvelo M, Garcia-Fandiño R, Piñeiro Á. F Garrido P, et al. Biomolecules. 2020 Mar 10;10(3):431. doi: 10.3390/biom10030431. Biomolecules. 2020. PMID: 32164358 Free PMC article.

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