Publicacións en colaboración con investigadores/as de Universitat de Barcelona (16)

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. Molecular dynamics modelling of the interaction of a synthetic zinc-finger miniprotein with DNA

    RSC Chemical Biology, Vol. 4, Núm. 7, pp. 486-493

  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

2016

  1. High-affinity sequence-selective DNA binding by iridium(III) polypyridyl organometallopeptides

    Chemical Communications, Vol. 52, Núm. 6, pp. 1234-1237

2015

  1. Hydrolysis of imidazolidine ligands mediated by CuII: Mononuclear, tetranuclear and 1D CuII-amine complexes

    Polyhedron, Vol. 100, pp. 49-58

2013

  1. Custom-fit ruthenium(II) metallopeptides: A new twist to DNA binding with coordination compounds

    Chemistry - A European Journal, Vol. 19, Núm. 40, pp. 13369-13375

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

2010

  1. Synthesis and biological evaluation of new nanomolar competitive inhibitors of Helicobacter pylori type II dehydroquinase. Structural details of the role of the aromatic moieties with essential residues

    Journal of Medicinal Chemistry, Vol. 53, Núm. 1, pp. 191-200

  2. Understanding the key factors that control the inhibition of type II dehydroquinase by (2R)-2-benzyl-3-dehydroquinic acids

    ChemMedChem, Vol. 5, Núm. 10, pp. 1726-1733

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

2007

  1. New developments in the synthesis of oligonucleotide-peptide conjugates

    Nucleosides, Nucleotides and Nucleic Acids, Vol. 26, Núm. 8-9, pp. 963-967

  2. ds-oligonucleotide-peptide conjugates featuring peptides from the leucine-zipper region of Fos as switchable receptors for the oncoprotein Jun

    ChemBioChem, Vol. 8, Núm. 10, pp. 1110-1114

2003

  1. From transcription factors to designed sequence-specific DNA-binding peptides

    Chemical Society Reviews, Vol. 32, Núm. 6, pp. 338-349