Publicaciones en colaboración con investigadores/as de Universidade Do Porto (20)

2023

  1. Experimental Investigation of Tribological and Rheological Behaviour of Hybrid Nanolubricants for Applications in Internal Combustion Engines

    Tribology Letters, Vol. 71, Núm. 1

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. Partition of antimicrobial D-L-α-cyclic peptides into bacterial model membranes

    Biochimica et Biophysica Acta - Biomembranes, Vol. 1864, Núm. 1

  3. 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. Exploring the conformational binding mechanism of fibrinogen induced by interactions with penicillin β-lactam antibiotic drugs

    Journal of Molecular Liquids, Vol. 324

  2. Inverse Conformational Selection in Lipid-Protein Binding

    Journal of the American Chemical Society, Vol. 143, Núm. 34, pp. 13701-13709

  3. Macromolecular assembly and membrane activity of antimicrobial D,L-α-Cyclic peptides

    Colloids and Surfaces B: Biointerfaces, Vol. 208

  4. Unraveling the compositional and molecular features involved in lysozyme-benzothiazole derivative interactions

    Molecules, Vol. 26, Núm. 19

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. Mapping the underlying mechanisms of fibrinogen benzothiazole drug interactions using computational and experimental approaches

    International Journal of Biological Macromolecules, Vol. 163, pp. 730-744

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

    Colloids and Surfaces B: Biointerfaces, Vol. 196

2019

  1. Structural and energetic evolution of fibrinogen toward to the betablocker interactions

    International Journal of Biological Macromolecules, Vol. 137, pp. 405-419

2018

  1. Design and applications of cyclic peptides

    Peptide Applications in Biomedicine, Biotechnology and Bioengineering (Elsevier Inc.), pp. 87-129

  2. GADDLE Maps: General Algorithm for Discrete Object Deformations Based on Local Exchange Maps

    Journal of Chemical Theory and Computation, Vol. 14, Núm. 2, pp. 466-478

2017

  1. Cis-Platinum Complex Encapsulated in Self-Assembling Cyclic Peptide Dimers

    Organic Letters, Vol. 19, Núm. 10, pp. 2560-2563

  2. Design and applications of cyclic peptides

    Peptide Applications in Biomedicine, Biotechnology and Bioengineering (Elsevier), pp. 87-129

  3. Hydrazone-modulated peptides for efficient gene transfection

    Journal of Materials Chemistry B, Vol. 5, Núm. 23, pp. 4426-4434

  4. Palladium-Catalyzed Formal (5 + 2) Annulation between ortho-Alkenylanilides and Allenes

    Organic Letters, Vol. 19, Núm. 7, pp. 1674-1677

2003

  1. A direct classical trajectory study of the acetone photodissociation on the triplet surface

    Journal of Chemical Physics, Vol. 119, Núm. 20, pp. 10618-10625

  2. Direct dynamics study of the photodissociation of triplet propanal at threshold

    Renewable and Sustainable Energy Reviews, Vol. 7, Núm. 6, pp. 37-44