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Martín Calvelo (ORCID:0000-0001-7114-1781)
Martín Calvelo (ORCID:0000-0001-7114-1781)
ITQB NOVA - Lisbon
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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
672020
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
332020
In VitroIn 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
302020
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
292021
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
262018
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
212020
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
202020
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
172021
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
172020
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
172020
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
162019
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
142019
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
132022
Comprehensive Supramolecular Chemistry II
R Garcia-Fandiño, M Calvelo, JR Granja
Elsevier Inc, 2017
132017
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
122015
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
92022
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
82020
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
62022
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
62018
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
52021
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