Publications by authors named "Angel Pineiro"

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Comprehensive molecular characterization of post-COVID condition: Immunoglobulin suppression and persistent SARS-CoV-2 antigens as key pathophysiological drivers.
Alejandro Seco-Gonzalez, Paula Antelo-Riveiro, Susana B Bravo, M J Domínguez-Santalla, E Rodríguez-Ruiz

J Infect Public Health· October 2025

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Instability and resilience at the lipid membrane interface under ultrasound: composition matters.
Alexandre Blanco-González, Ángel Piñeiro, Rebeca García-Fandiño

Arch Biochem Biophys· September 2025

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Corona VRus Coaster: the virtual reality roller coaster of the proteins of SARS-CoV-2.
Alejandro Seco-González, César Porto, Ángel Piñeiro, Rebeca Garcia-Fandino

J Mol Model· August 2025

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A comprehensive nomenclature system for cyclodextrins.
Amelia M Anderson, Matthew S O'Connor, James Pipkin, Milo Malanga, Tamas Sohajda

Carbohydr Polym· July 2025

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MA(R/S)TINI 3: An Enhanced Coarse-Grained Force Field for Accurate Modeling of Cyclic Peptide Self-Assembly and Membrane Interactions.
Alfonso Cabezón, Rebeca Garcia-Fandino, Ángel Piñeiro

J Chem Theory Comput· June 2025

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Rapid diagnosis and severity scale of post-COVID condition using advanced spectroscopy.
Paula Antelo-Riveiro, Manuel Vázquez, María Jesús Domínguez-Santalla, Emilio Rodríguez-Ruiz, Ángel Piñeiro

Spectrochim Acta A Mol Biomol Spectrosc· March 2025

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Cyclodextrins: Establishing building blocks for AI-driven drug design by determining affinity constants .
Amelia Anderson, Ángel Piñeiro, Rebeca García-Fandiño, Matthew S O'Connor

Comput Struct Biotechnol J· December 2024

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Unlocking the specificity of antimicrobial peptide interactions for membrane-targeted therapies.
Daniel Conde-Torres, Martín Calvelo, Carme Rovira, Ángel Piñeiro, Rebeca Garcia-Fandino

Comput Struct Biotechnol J· December 2024

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CYCLOPEp Builder: Facilitating cyclic peptide and nanotube research through a user-friendly web platform.
Alfonso Cabezón, Fabián Suárez-Lestón, Juan R Granja, Ángel Piñeiro, Rebeca Garcia-Fandino

Comput Struct Biotechnol J· December 2024

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Classical Simulations on Quantum Computers: Interface-Driven Peptide Folding on Simulated Membrane Surfaces.
Daniel Conde-Torres, Mariamo Mussa-Juane, Daniel Faílde, Andrés Gómez, Rebeca García-Fandiño

Comput Biol Med· November 2024

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Simulating Bacterial Membrane Models at the Atomistic Level: A Force Field Comparison.
Alexandre Blanco-González, Anika Wurl, Tiago Mendes Ferreira, Ángel Piñeiro, Rebeca Garcia-Fandino

J Chem Theory Comput· September 2024

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Unraveling the molecular dynamics of sugammadex-rocuronium complexation: A blueprint for cyclodextrin drug design.
Amelia Anderson, Rebeca García-Fandiño, Ángel Piñeiro, Matthew S O'Connor

Carbohydr Polym· June 2024

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Overlay databank unlocks data-driven analyses of biomolecules for all.
Anne M Kiirikki, Hanne S Antila, Lara S Bort, Pavel Buslaev, Fernando Favela-Rosales

Nat Commun· February 2024

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Unraveling lipid and inflammation interplay in cancer, aging and infection for novel theranostic approaches.
Daniel Conde-Torres, Alexandre Blanco-González, Alejandro Seco-González, Fabián Suárez-Lestón, Alfonso Cabezón

Front Immunol· February 2024

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Addressing the complexities in measuring cyclodextrin-sterol binding constants: A multidimensional study.
Amelia M Anderson, Ilse Manet, Milo Malanga, Daniel M Clemens, Keivan Sadrerafi

Carbohydr Polym· January 2024

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Molecular insights into the effects of focused ultrasound mechanotherapy on lipid bilayers: Unlocking the keys to design effective treatments.
Alexandre Blanco-González, Siewert J Marrink, Ángel Piñeiro, Rebeca García-Fandiño

J Colloid Interface Sci· November 2023

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Uncovering the mechanisms of cyclic peptide self-assembly in membranes with the chirality-aware MA(R/S)TINI forcefield.
Alfonso Cabezón, Martin Calvelo, Juan R Granja, Ángel Piñeiro, Rebeca Garcia-Fandino

J Colloid Interface Sci· July 2023

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The Role of AI in Drug Discovery: Challenges, Opportunities, and Strategies.
Alexandre Blanco-González, Alfonso Cabezón, Alejandro Seco-González, Daniel Conde-Torres, Paula Antelo-Riveiro

Pharmaceuticals (Basel)· June 2023

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Not so rigid capsids based on cyclodextrin complexes: Keys to design.
Fabián Suárez-Lestón, Pablo F Garrido, Ángel Piñeiro, Rebeca Garcia-Fandino

J Colloid Interface Sci· October 2022

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Unravelling hierarchical levels of structure in lipid membranes.
Alexandre Blanco-González, Ángel Piñeiro, Rebeca García-Fandiño

Comput Struct Biotechnol J· May 2022

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Molecular Dynamics Simulations of Transmembrane Cyclic Peptide Nanotubes Using Classical Force Fields, Hydrogen Mass Repartitioning, and Hydrogen Isotope Exchange Methods: A Critical Comparison.
Daniel Conde, Pablo F Garrido, Martín Calvelo, Ángel Piñeiro, Rebeca Garcia-Fandino

Int J Mol Sci· March 2022

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Unsupervised bubble calorimetry analysis: Surface tension from isothermal titration calorimetry.
Pablo F Garrido, Margarida Bastos, Adrián Velázquez-Campoy, Alfredo Amigo, Philippe Dumas

J Colloid Interface Sci· January 2022

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SuPepMem: A database of innate immune system peptides and their cell membrane interactions.
Fabián Suarez-Leston, Martin Calvelo, Gideon F Tolufashe, Alicia Muñoz, Uxía Veleiro

Comput Struct Biotechnol J· January 2022

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Aggregation versus inclusion complexes to solubilize drugs with cyclodextrins. A case study using sulphobutylether-β-cyclodextrins and remdesivir.
Ángel Piñeiro, James Pipkin, Vince Antle, Rebeca Garcia-Fandino

J Mol Liq· December 2021

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Simple ApproximaTion for Aggregation Number Determination by Isothermal Titration Calorimetry: STAND-ITC.
Pablo F Garrido, Pedro Rodríguez-Dafonte, Luis García-Río, Ángel Piñeiro

Langmuir· October 2021

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