Publicacións (25) Publicacións de MARTIN CALVELO SOUTO Ver datos de investigación referenciados.

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2026

  1. Enantioselective Iridium-Catalyzed Intramolecular Hydroarylation of (Hetero)Arene-Tethered Prochiral Diketones

    Journal of the American Chemical Society, Vol. 148, Núm. 19, pp. 20203-20214

  2. Oseltamivir aziridines are potent influenza neuraminidase inhibitors and imaging agents

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 123, Núm. 13

2025

  1. Iridium-Catalyzed Enantioselective Intramolecular Hydroarylation of Allenes: Formal Synthesis of (+)-Rhazinilam

    Angewandte Chemie - International Edition, Vol. 64, Núm. 31

  2. Modular supramolecular capsules based on α,γ-cyclic peptide dimers for the development of confined catalysis

    Organic Chemistry Frontiers, Vol. 12, Núm. 7, pp. 2149-2158

2024

  1. Exo-chirality of the α-helix

    Nature Communications, Vol. 15, Núm. 1

  2. Skeletal and Mechanistic Diversity in Ir-Catalyzed Cycloisomerizations of Allene-Tethered Pyrroles and Indoles

    Angewandte Chemie - International Edition, Vol. 63, Núm. 36

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

    Computational and Structural Biotechnology Journal, Vol. 25, pp. 61-74

2023

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

    ACS Catalysis, Vol. 13, Núm. 20, pp. 13672-13678

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

    Journal of Colloid and Interface Science, Vol. 642, pp. 84-99

2022

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

    International Journal of Molecular Sciences, Vol. 23, Núm. 6

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

    Computational and Structural Biotechnology Journal, Vol. 20, pp. 874-881

2021

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

    ACS Nano, Vol. 15, Núm. 4, pp. 7053-7064

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

    Frontiers in Chemistry, Vol. 9

2020

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

    Computational and Structural Biotechnology Journal, Vol. 18, pp. 2621-2628

  2. In Vitro- In Silico Modeling Approach to Rationally Designed Simple and Versatile Drug Delivery Systems

    Journal of Physical Chemistry B, Vol. 124, Núm. 28, pp. 5788-5800

  3. Induced α,γ-cyclic peptide rotodimer recognition by nucleobase scaffolds

    Peptide Science, Vol. 112, Núm. 1

  4. Membrane targeting antimicrobial cyclic peptide nanotubes – an experimental and computational study

    Colloids and Surfaces B: Biointerfaces, Vol. 196

  5. Parallel Versus Antiparallel β-Sheet Structure in Cyclic Peptide Hybrids Containing γ- or δ-Cyclic Amino Acids

    Chemistry - A European Journal, Vol. 26, Núm. 26, pp. 5846-5858

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

    Biomolecules, Vol. 10, Núm. 3

  7. Skeletal diversity in Pt- And Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways

    Chemical Science, Vol. 11, Núm. 16, pp. 4209-4220