Calvelo M - Search Results

1

Effect of Water Models on Transmembrane Self-Assembled Cyclic Peptide Nanotubes.

Calvelo M, Lynch CI, Granja JR, Sansom MSP, Garcia-Fandiño R. Calvelo M, et al. ACS Nano. 2021 Apr 27;15(4):7053-7064. doi: 10.1021/acsnano.1c00155. Epub 2021 Mar 19. ACS Nano. 2021. PMID: 33739081 Free PMC article.

2

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

3

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. Among authors: calvelo m. 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

4

Tight Xenon Confinement in a Crystalline Sandwich-like Hydrogen-Bonded Dimeric Capsule of a Cyclic Peptide.

Pizzi A, Ozores HL, Calvelo M, García-Fandiño R, Amorín M, Demitri N, Terraneo G, Bracco S, Comotti A, Sozzani P, Bezuidenhout CX, Metrangolo P, Granja JR. Pizzi A, et al. Among authors: calvelo m. Angew Chem Int Ed Engl. 2019 Oct 7;58(41):14472-14476. doi: 10.1002/anie.201906599. Epub 2019 Sep 5. Angew Chem Int Ed Engl. 2019. PMID: 31418497 Free article.

5

Competitive double-switched self-assembled cyclic peptide nanotubes: a dual internal and external control.

Calvelo M, Granja JR, Garcia-Fandino R. Calvelo M, et al. Phys Chem Chem Phys. 2019 Oct 7;21(37):20750-20756. doi: 10.1039/c9cp02327e. Epub 2019 Sep 12. Phys Chem Chem Phys. 2019. PMID: 31513191

6

Parallel Versus Antiparallel β-Sheet Structure in Cyclic Peptide Hybrids Containing γ- or δ-Cyclic Amino Acids.

Calvelo M, Lamas A, Guerra A, Amorín M, Garcia-Fandino R, Granja JR. Calvelo M, et al. Chemistry. 2020 May 7;26(26):5846-5858. doi: 10.1002/chem.201905554. Epub 2020 Apr 21. Chemistry. 2020. PMID: 31999874

7

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. Among authors: calvelo m. Biomolecules. 2020 Mar 10;10(3):431. doi: 10.3390/biom10030431. Biomolecules. 2020. PMID: 32164358 Free PMC article.

8

In Vitro-In Silico Modeling Approach to Rationally Designed Simple and Versatile Drug Delivery Systems.

Bouzo BL, Calvelo M, Martín-Pastor M, García-Fandiño R, de la Fuente M. Bouzo BL, et al. Among authors: calvelo m. J Phys Chem B. 2020 Jul 16;124(28):5788-5800. doi: 10.1021/acs.jpcb.0c02731. Epub 2020 Jul 7. J Phys Chem B. 2020. PMID: 32525313

9

The Lord of the NanoRings: Cyclodextrins and the battle against SARS-CoV-2.

Garrido PF, Calvelo M, Blanco-González A, Veleiro U, Suárez F, Conde D, Cabezón A, Piñeiro Á, Garcia-Fandino R. Garrido PF, et al. Among authors: calvelo m. Int J Pharm. 2020 Oct 15;588:119689. doi: 10.1016/j.ijpharm.2020.119689. Epub 2020 Jul 25. Int J Pharm. 2020. PMID: 32717282 Free PMC article. Review.

10

An immersive journey to the molecular structure of SARS-CoV-2: Virtual reality in COVID-19.

Calvelo M, Piñeiro Á, Garcia-Fandino R. Calvelo M, et al. Comput Struct Biotechnol J. 2020;18:2621-2628. doi: 10.1016/j.csbj.2020.09.018. Epub 2020 Sep 18. Comput Struct Biotechnol J. 2020. PMID: 32983399 Free PMC article. Review.

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