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

por Calvelo, Martín, Piñeiro, Ángel, Garcia-Fandino, Rebeca
Publicado 2020

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

por F. Garrido, Pablo, Calvelo, Martín, Garcia-Fandiño, Rebeca, Piñeiro, Ángel
Publicado 2020

Palladium‐Catalyzed Tandem Cycloisomerization/Cross‐Coupling of Carbonyl‐ and Imine‐Tethered Alkylidenecyclopropanes

por Verdugo, Felipe, Rodiño, Ricardo, Calvelo, Martín, Mascareñas, José Luis, López, Fernando
Publicado 2022

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

por Conde, Daniel, Garrido, Pablo F., Calvelo, Martín, Piñeiro, Ángel, Garcia-Fandino, Rebeca
Publicado 2022

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

por Calvelo, Martin, Lynch, Charlotte I., Granja, Juan R., Sansom, Mark S. P., Garcia-Fandiño, Rebeca
Publicado 2021

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

por Nelson, Ronald, Calvelo, Martín, García-Fandiño, Rebeca, Lledós, Agustí, Ujaque, Gregori, Mascareñas, José L., López, Fernando
Publicado 2020

Highly Enantioselective Iridium(I)‐Catalyzed Hydrocarbonation of Alkenes: A Versatile Approach to Heterocyclic Systems Bearing Quaternary Stereocenters

por Arribas, Andrés, Calvelo, Martín, Fernández, David F., Rodrigues, Catarina A. B., Mascareñas, José L., López, Fernando
Publicado 2021

Human O-GlcNAcase Uses a Preactivated Boat-skew Substrate Conformation for Catalysis. Evidence from X-ray Crystallography and QM/MM Metadynamics

por Calvelo, Martín, Males, Alexandra, Alteen, Matthew G., Willems, Lianne I., Vocadlo, David J., Davies, Gideon J., Rovira, Carme
Publicado 2023

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

por Blanco-González, Alexandre, Calvelo, Martín, Garrido, Pablo F., Amorín, Manuel, Granja, Juan R., Piñeiro, Ángel, Garcia-Fandino, Rebeca
Publicado 2021

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

por Garrido, Pablo F., Calvelo, Martín, Blanco-González, Alexandre, Veleiro, Uxía, Suárez, Fabián, Conde, Daniel, Cabezón, Alfonso, Piñeiro, Ángel, Garcia-Fandino, Rebeca
Publicado 2020

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

por Suarez-Leston, Fabián, Calvelo, Martin, Tolufashe, Gideon F., Muñoz, Alicia, Veleiro, Uxía, Porto, César, Bastos, Margarida, Piñeiro, Ángel, Garcia-Fandino, Rebeca
Publicado 2022