Publications in collaboration with researchers from 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