Search Results - "García-Fandiño, Rebeca"

Interface-Driven Peptide Folding: Quantum Computations on Simulated Membrane Surfaces

Conde-Torres, Daniel, Mussa-Juane, Mariamo, Faílde, Daniel, Gómez, Andrés, García-Fandiño, Rebeca, Piñeiro, Ángel

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

Blanco-Gonzalez, Alexandre, Cabezon, Alfonso, Seco-Gonzalez, Alejandro, Conde-Torres, Daniel, Antelo-Riveiro, Paula, Pineiro, Angel, Garcia-Fandino, Rebeca

A comprehensive nomenclature system for cyclodextrins

Anderson, Amelia M. ^a, O'Connor, Matthew S. ^a, Pipkin, James ^b, Malanga, Milo ^c, Sohajda, Tamas ^c, Loftsson, Thorsteinn ^d, Szente, Lajos ^e, García-Fandiño, Rebeca ^{f, ⁎}, Piñeiro, Ángel ^{g, ⁎}

Rapid diagnosis and severity scale of post-COVID condition using advanced spectroscopy

Antelo-Riveiro, Paula, Vázquez, Manuel, Domínguez-Santalla, María Jesús, Rodríguez-Ruiz, Emilio, Piñeiro, Ángel, Garcia-Fandino, Rebeca

Unlocking the specificity of antimicrobial peptide interactions for membrane-targeted therapies

Conde-Torres, Daniel, Calvelo, Martín, Rovira, Carme, Piñeiro, Ángel, Garcia-Fandino, Rebeca

Cyclodextrins: Establishing building blocks for AI-driven drug design by determining affinity constants in silico

Anderson, Amelia ^{a, b, c, ⁎}, Piñeiro, Ángel ^c, García-Fandiño, Rebeca ^b, O’Connor, Matthew S. ^a

Classical Simulations on Quantum Computers: Interface-Driven Peptide Folding on Simulated Membrane Surfaces

Conde-Torres, Daniel ^{a, b}, Mussa-Juane, Mariamo ^c, Faílde, Daniel ^c, Gómez, Andrés ^c, García-Fandiño, Rebeca ^{b, ⁎}, Piñeiro, Ángel ^{a, ⁎⁎}

This result is not displayed to guests.
Login for full access.

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

Bouzo, Belén L.^aff1, Calvelo, Martín^aff2, Martín-Pastor, Manuel^aff3, García-Fandiño, Rebeca^aff2, de la Fuente, María^{aff1, aff4}

Unraveling the molecular dynamics of sugammadex-rocuronium complexation: A blueprint for cyclodextrin drug design

Anderson, Amelia, García-Fandiño, Rebeca, Piñeiro, Ángel, O'Connor, Matthew S.

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

Anderson, Amelia M. ^{a, b, c, 1}, Manet, Ilse ^{d, 1}, Malanga, Milo ^{e, f}, Clemens, Daniel M. ^a, Sadrerafi, Keivan ^a, Piñeiro, Ángel ^{b, g}, García-Fandiño, Rebeca ^{c, g}, O'Connor, Matthew S. ^{a, ⁎}

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

Blanco-González, Alexandre, Marrink, Siewert J., Piñeiro, Ángel, García-Fandiño, Rebeca

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

Cabezón, Alfonso, Calvelo, Martin, Granja, Juan R., Piñeiro, Ángel, Garcia-Fandino, Rebeca

This result is not displayed to guests.
Login for full access.

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

Otero-Mato, J. Manuel^aff1, Montes-Campos, Hadrián^aff1, Calvelo, Martín^aff4, García-Fandiño, Rebeca^aff3, Gallego, Luis J.^aff1, Piñeiro, Ángel^aff5, Varela, Luis M.^aff1

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

Suárez-Lestón, Fabián, Garrido, Pablo F., Piñeiro, Ángel, Garcia-Fandino, Rebeca

This result is not displayed to guests.
Login for full access.

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

Claro, Bárbara, González-Freire, Eva, Granja, Juan R., Garcia-Fandiño, Rebeca, Gallová, Jana, Uhríková, Daniela, Fedorov, Aleksander, Coutinho, Ana, Bastos, Margarida

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

Piñeiro, Ángel, Pipkin, James, Antle, Vince, Garcia-Fandino, Rebeca

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

Suarez-Leston, Fabián, Calvelo, Martin, Tolufashe, Gideon F., Muñoz, Alicia, Veleiro, Uxía, Porto, César, Bastos, Margarida, Piñeiro, Ángel, Garcia-Fandino, Rebeca