Publicaciones en colaboración con investigadores/as de Universitat de Barcelona (8)

2024

  1. 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

2012

  1. Defining the Nature of Thermal Intermediate in 3 State Folding Proteins: Apoflavodoxin, a Study Case

    PLoS Computational Biology, Vol. 8, Núm. 8

2011

  1. Structural analysis of an equilibrium folding intermediate in the apoflavodoxin native ensemble by small-angle X-ray scattering

    Journal of Molecular Biology, Vol. 406, Núm. 4, pp. 604-619

2009

  1. Theoretical characterization of the dynamical behavior and transport properties of α,γ-peptide nanotubes in solution

    Journal of the American Chemical Society, Vol. 131, Núm. 43, pp. 15678-15686