Rebeca García‐Fandiño

发表

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

S. Vázquez, Martín Calvelo, Rebeca García‐Fandiño, 2015, Physical chemistry chemical physics : PCCP.

Membrane-targeted self-assembling cyclic peptide nanotubes.

Juan M Priegue, J. Granja, J. Montenegro, 2015, Current topics in medicinal chemistry.

Structural analysis of an equilibrium folding intermediate in the apoflavodoxin native ensemble by small-angle X-ray scattering.

Modesto Orozco, Pau Bernadó, Javier Sancho, 2011, Journal of molecular biology.

Effect of Organochloride Guest Molecules on the Stability of Homo/Hetero Self-Assembled α,γ-Cyclic Peptide Structures: A Computational Study Toward the Control of Nanotube Length

J. Granja, Rebeca García‐Fandiño, R. García‐Fandiño, 2013 .

Interaction and dimerization energies in methyl-blocked alpha,gamma-peptide nanotube segments.

J. Granja, S. Vázquez, L. Castedo, 2010, The journal of physical chemistry. B.

Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome

J. Mascareñas, Moisés Gulías, Rebeca García‐Fandiño, 2016, ACS catalysis.

Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes.

J. Mascareñas, Cezar Comanescu, Moisés Gulías, 2017, Organic letters.

Parallel versus antiparallel β-sheet structure in cyclic peptide hybrids containing γ- or δ-cyclic amino acids.

J. Granja, M. Amorín, Martín Calvelo, 2020, Chemistry.

Palladium-catalysed [3+2] cycloaddition of alk-5-ynylidenecyclopropanes to alkynes: a mechanistic DFT study.

J. Granja, J. Mascareñas, D. Cárdenas, 2008, Chemistry.

Self-Assembly of Silver Metal Clusters of Small Atomicity on Cyclic Peptide Nanotubes.

J. Granja, J. Montenegro, M. López-Quintela, 2015, ACS nano.

Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways

A. Lledós, Gregori Ujaque, J. Mascareñas, 2020, Chemical science.

Partition of antimicrobial D-L-α-cyclic peptides into bacterial model membranes.

A. Coutinho, J. Granja, D. Uhríková, 2021, Biochimica et Biophysica Acta - Biomembranes.

Not so rigid capsids based on cyclodextrin complexes: Keys to design.

Ángel Piñeiro, Pablo F. Garrido, Rebeca García‐Fandiño, 2022, Journal of colloid and interface science.

Unravelling hierarchical levels of structure in lipid membranes

Ángel Piñeiro, Rebeca García‐Fandiño, Alexandre Blanco-González, 2022, Computational and structural biotechnology journal.

Cyclodextrin dimers: a versatile approach to optimizing encapsulation and their application to therapeutic extraction of toxic oxysterols.

Ángel Piñeiro, Rebeca García‐Fandiño, M. Malanga, 2021, International journal of pharmaceutics.

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

Ángel Piñeiro, Martín Calvelo, Rebeca García‐Fandiño, 2020, Biomolecules.

cis-Platinum Complex Encapsulated in Self-Assembling Cyclic Peptide Dimers.

M. Loza, J. Brea, J. Granja, 2017, Organic letters.

The Role of AI in Drug Discovery: Challenges, Opportunities, and Strategies

Ángel Piñeiro, Rebeca García‐Fandiño, Alexandre Blanco-González, 2022, Pharmaceuticals.

Rhodium-Catalyzed Annulation of ortho-Alkenyl Anilides with Alkynes: Formation of Unexpected Naphthalene Adducts.

J. Mascareñas, Cezar Comanescu, Moisés Gulías, 2019, Angewandte Chemie.

Rhodium(III)-catalyzed intramolecular annulations involving amide-directed C–H activations: synthetic scope and mechanistic studies

J. Mascareñas, Moisés Gulías, Rebeca García‐Fandiño, 2013 .

Palladium-catalyzed conjugate addition of terminal alkynes to enones.

J. Mascareñas, F. López, Rebeca García‐Fandiño, 2012, Organic letters.

Dienyne ring-closing metathesis approach for the construction of taxosteroids.

J. Granja, L. Castedo, M. Aldegunde, 2007, Chemistry.

Mechanistic study on the palladium-catalyzed (3 + 2) intramolecular cycloaddition of alk-5-enylidenecyclopropanes.

J. Mascareñas, D. Cárdenas, Moisés Gulías, 2012, Dalton transactions.

Pore- and Channel-Forming Peptides and Their Mimetics

J. Granja, Martín Calvelo, Rebeca García‐Fandiño, 2017 .

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

P. Ballester, C. Chiorboli, J. Granja, 2014, Chemistry.

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

Ángel Piñeiro, Fabián Suárez, Pablo F. Garrido, 2020, International Journal of Pharmaceutics.

Synthesis of Supramolecular Nanotubes

J. Granja, M. Amorín, Rebeca García‐Fandiño, 2012 .

Hydrazone-modulated peptides for efficient gene transfection.

Javier Montenegro, J. Montenegro, Iria Louzao, 2017, Journal of materials chemistry. B.

Alpha,gamma-cyclic peptide ensembles with a hydroxylated cavity.

J. Granja, M. Amorín, L. Castedo, 2009, Organic & biomolecular chemistry.

Aggregation versus inclusion complexes to solubilize drugs with cyclodextrins. A case study using sulphobutylether-β-cyclodextrins and remdesivir

Ángel Piñeiro, Rebeca García‐Fandiño, J. Pipkin, 2021, Journal of Molecular Liquids.

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

P. Sozzani, P. Metrangolo, G. Terraneo, 2019, Angewandte Chemie.

Computational simulations of cyclodextrins: are you ready?

Ángel Piñeiro, M. Pérez, Pablo F. Garrido, 2017 .

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

Martín Calvelo, J Manuel Otero-Mato, Hadrián Montes-Campos, 2018, Journal of chemical theory and computation.

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

Modesto Orozco, Marco D'Abramo, M. Orozco, 2009, Journal of the American Chemical Society.

Self-assembling α,γ-cyclic peptides that generate cavities with tunable properties

J. Granja, M. Amorín, Rebeca García‐Fandiño, 2015, Chemical science.

Inverse Conformational Selection in Lipid-Protein Binding.

Salla I. Virtanen, T. Piggot, O. H. S. Ollila, 2021, Journal of the American Chemical Society.

Design and applications of cyclic peptides

Rebeca García-Fandiño, Margarida Bastos, Barbara Claro, 2018 .

Remdesivir interactions with sulphobutylether-β-cyclodextrins: A case study using selected substitution patterns

Ángel Piñeiro, Rebeca García‐Fandiño, J. Pipkin, 2021, Journal of Molecular Liquids.

Delving Into the Origin of Destructive Inflammation in COVID-19: A Betrayal of Natural Host Defense Peptides?

Ángel Piñeiro, Rebeca García‐Fandiño, R. García‐Fandiño, 2021, Frontiers in Immunology.

Feasibility of associative mechanism in enyne metathesis catalyzed by grubbs complexes.

J. Granja, D. Cárdenas, L. Castedo, 2007, Dalton transactions.

A designed DNA binding motif that recognizes extended sites and spans two adjacent major grooves

M. Vázquez, J. Mascareñas, Jéssica Rodríguez, 2016, Chemical science.

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

J. Granja, Martín Calvelo, Rebeca García‐Fandiño, 2019, Physical chemistry chemical physics : PCCP.

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

T. Stockner, T. Borowski, G. Hunter, 2017, Chemistry.

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

P. Sozzani, P. Metrangolo, G. Terraneo, 2019, Angewandte Chemie.

Designing biomimetic pores based on carbon nanotubes

M. Sansom, Mark S P Sansom, Rebeca García-Fandiño, 2012, Proceedings of the National Academy of Sciences of the United States of America.

SuPepMem: A database of innate immune system peptides and their cell membrane interactions

G. Tolufashe, Ángel Piñeiro, Martín Calvelo, 2022, Computational and structural biotechnology journal.

Transmembrane ion transport by self-assembling α,γ-peptide nanotubes

Luis Castedo, Juan R. Granja, J. Granja, 2012 .

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

M. Sansom, Ángel Piñeiro, Rebeca García‐Fandiño, 2016, ACS nano.

Membrane targeting antimicrobial cyclic peptide nanotubes - an experimental and computational study.

E. Goormaghtigh, J. Granja, M. Amorín, 2020, Colloids and surfaces. B, Biointerfaces.

Transmembrane Self-Assembled Cyclic Peptide Nanotubes Based on α‐Residues and Cyclic δ‐Amino Acids: A Computational Study

J. Granja, M. Amorín, Ángel Piñeiro, 2021, Frontiers in Chemistry.

Short oligoalanine helical peptides for supramolecular nanopore assembly and protein cytosolic delivery

Irene Lostalé‐Seijo, J. Montenegro, Marisa Juanes, 2020, RSC chemical biology.

Uncovering the mechanisms of cyclic peptide self-assembly in membranes with the chirality-aware MA(R/S)TINI forcefield.

J. Granja, Ángel Piñeiro, Martín Calvelo, 2023, Journal of colloid and interface science.

Tandem RCM of dienynes for the construction of taxol-type carbocyclic systems.

J. Granja, E. Sobarzo-Sánchez, L. Castedo, 2004, Organic letters.

In Vitro-in Silico Modelling Approach to Rationally Design Simple and Versatile Drug Delivery Systems.

Belén L Bouzo, Martín Calvelo, Manuel Martin-Pastor, 2020, The journal of physical chemistry. B.

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

Martín Calvelo, Ángel Piñeiro, Rebeca Garcia-Fandino, 2020, Computational and Structural Biotechnology Journal.

Molecular Dynamics Simulations of Transmembrane Cyclic Peptide Nanotubes Using Classical Force Fields, Hydrogen Mass Repartitioning, and Hydrogen Isotope Exchange Methods: A Critical Comparison

Ángel Piñeiro, Pablo F. Garrido, Martín Calvelo, 2022, International journal of molecular sciences.

Molecular insights into the effects of focused ultrasound mechanotherapy on lipid bilayers: Unlocking the keys to design effective treatments.

S. Marrink, Ángel Piñeiro, Rebeca García‐Fandiño, 2023, Journal of colloid and interface science.