| The Lord of the NanoRings: Cyclodextrins and the battle against SARS-CoV-2 PF Garrido, M Calvelo, A Blanco-Gonzalez, U Veleiro, F Suarez, D Conde, ... International Journal of Pharmaceutics 588, 119689, 2020 | 59 | 2020 |
| An immersive journey to the molecular structure of SARS-CoV-2: Virtual reality in COVID-19 M Calvelo, Á Piñeiro, R Garcia-Fandino Computational and structural biotechnology journal 18, 2621-2628, 2020 | 28 | 2020 |
| Highly Enantioselective Iridium (I)‐Catalyzed Hydrocarbonation of Alkenes: A Versatile Approach to Heterocyclic Systems Bearing Quaternary Stereocenters A Arribas, M Calvelo, DF Fernández, CAB Rodrigues, JL Mascareñas, ... Angewandte Chemie International Edition 60 (35), 19297-19305, 2021 | 25 | 2021 |
| Iridium (I)-Catalyzed Intramolecular Cycloisomerization of Enynes: Scope and Mechanistic Course DF Fernandez, CAB Rodrigues, M Calvelo, M Gulias, JL Mascarenas, ... ACS Catalysis 8 (8), 7397-7402, 2018 | 25 | 2018 |
| In Vitro–In Silico Modeling Approach to Rationally Designed Simple and Versatile Drug Delivery Systems BL Bouzo, M Calvelo, M Martín-Pastor, R García-Fandiño, M de la Fuente The Journal of Physical Chemistry B 124 (28), 5788-5800, 2020 | 23 | 2020 |
| Membrane targeting antimicrobial cyclic peptide nanotubes–an experimental and computational study B Claro, E González-Freire, M Calvelo, LJ Bessa, E Goormaghtigh, ... Colloids and Surfaces B: Biointerfaces 196, 111349, 2020 | 18 | 2020 |
| Pd-Catalyzed (3+ 2) Heterocycloadditions between Alkylidenecyclopropanes and Carbonyls: Straightforward Assembly of Highly Substituted Tetrahydrofurans F Verdugo, E Da Concepción, R Rodiño, M Calvelo, JL Mascareñas, ... ACS Catalysis 10 (14), 7710-7718, 2020 | 18 | 2020 |
| Rings, hexagons, petals, and dipolar moment sink-sources: The fanciful behavior of water around cyclodextrin complexes P F Garrido, M Calvelo, R Garcia-Fandiño, Á Piñeiro Biomolecules 10 (3), 431, 2020 | 16 | 2020 |
| Competitive double-switched self-assembled cyclic peptide nanotubes: a dual internal and external control M Calvelo, JR Granja, R Garcia-Fandino Physical Chemistry Chemical Physics 21 (37), 20750-20756, 2019 | 16 | 2019 |
| Parallel versus antiparallel β‐sheet structure in cyclic peptide hybrids containing γ‐or δ‐cyclic amino acids M Calvelo, A Lamas, A Guerra, M Amorín, R Garcia‐Fandino, JR Granja Chemistry–A European Journal 26 (26), 5846-5858, 2020 | 14 | 2020 |
| Effect of Water Models on Transmembrane Self-Assembled Cyclic Peptide Nanotubes M Calvelo, CI Lynch, JR Granja, MSP Sansom, R Garcia-Fandiño ACS nano 15 (4), 7053-7064, 2021 | 13 | 2021 |
| Tight Xenon Confinement in a Crystalline Sandwich‐like Hydrogen‐Bonded Dimeric Capsule of a Cyclic Peptide A Pizzi, HL Ozores, M Calvelo, R García‐Fandiño, M Amorín, N Demitri, ... Angewandte Chemie International Edition 58 (41), 14472-14476, 2019 | 12 | 2019 |
| SuPepMem: A database of innate immune system peptides and their cell membrane interactions F Suarez-Leston, M Calvelo, GF Tolufashe, A Muñoz, U Veleiro, C Porto, ... Computational and structural biotechnology journal 20, 874-881, 2022 | 11 | 2022 |
| Molecular dynamics simulations for designing biomimetic pores based on internally functionalized self-assembling α, γ-peptide nanotubes M Calvelo, S Vázquez, R García-Fandiño Physical Chemistry Chemical Physics 17 (43), 28586-28601, 2015 | 11 | 2015 |
| Induced α, γ‐cyclic peptide rotodimer recognition by nucleobase scaffolds M Panciera, E González‐Freire, M Calvelo, M Amorín, JR Granja Peptide Science 112 (1), e24132, 2020 | 8 | 2020 |
| GADDLE Maps: General Algorithm for Discrete Object Deformations Based on Local Exchange Maps JM Otero-Mato, H Montes-Campos, M Calvelo, R Garcia-Fandino, ... Journal of chemical theory and computation 14 (2), 466-478, 2018 | 6 | 2018 |
| Palladium‐Catalyzed Tandem Cycloisomerization/Cross‐Coupling of Carbonyl‐and Imine‐Tethered Alkylidenecyclopropanes F Verdugo, R Rodiño, M Calvelo, JL Mascareñas, F López Angewandte Chemie 134 (24), e202202295, 2022 | 4 | 2022 |
| Transmembrane Self-Assembled Cyclic Peptide Nanotubes Based on α‐Residues and Cyclic δ‐Amino Acids: A Computational Study A Blanco-González, M Calvelo, PF Garrido, M Amorín, JR Granja, ... Frontiers in Chemistry 9, 704160, 2021 | 4 | 2021 |
| Molecular Dynamics Simulations of Transmembrane Cyclic Peptide Nanotubes Using Classical Force Fields, Hydrogen Mass Repartitioning, and Hydrogen Isotope Exchange Methods: A … D Conde, PF Garrido, M Calvelo, Á Piñeiro, R Garcia-Fandino International Journal of Molecular Sciences 23 (6), 3158, 2022 | 2 | 2022 |
| Human O-GlcNAcase Uses a Preactivated Boat-skew Substrate Conformation for Catalysis. Evidence from X-ray Crystallography and QM/MM Metadynamics M Calvelo, A Males, MG Alteen, LI Willems, DJ Vocadlo, GJ Davies, ... ACS catalysis 13 (20), 13672-13678, 2023 | 1 | 2023 |
Rebeca Garcia-Fandino"Ramón y Cajal" researcher , CIQUS-Santiago de Compostela UniversityVerified email at usc.es
