Publicacións en colaboración con investigadores/as de Universidade Do Porto (5)

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

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

    Colloids and Surfaces B: Biointerfaces, Vol. 196

2018

  1. 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