All Stories

  1. Tackling Halogenated Species with PBSA: Effect of Emulating the σ-Hole

    Article • Journal of Chemical Theory and Computation, May 2019, American Chemical Society (ACS)

    Rafael Nunes

  2. Halogen bonding in halocarbon-protein complexes and computational tools for rational drug design

    Article • Expert Opinion on Drug Discovery, May 2019, Taylor & Francis

    Rafael Nunes

  3. In silico design of halogenated carbohydrate mimetics as potential halogen-bonding ligands

    Article • January 2019, MDPI AG

    Rafael Nunes

  4. Sugar-based bactericides targeting phosphatidylethanolamine-enriched membranes

    Article • Nature Communications, November 2018, Springer Science + Business Media

    Rafael Nunes

  5. Advances in the Computational Modeling of Halogen Bonds in Biochemical Systems

    Article • October 2018, Bentham Science Publishers

    Rafael Nunes

  6. Recent Advances in the Synthesis of N-Glycosyl Compounds

    Article • September 2018, Bentham Science Publishers

    Rafael Nunes

  7. Biomolecular Simulations of Halogen Bonds with a GROMOS Force Field

    Article • Journal of Chemical Theory and Computation, September 2018, American Chemical Society (ACS)

    Rafael Nunes

  8. T4 Lysozyme/Halobenzene: A Test System for Modeling Biomolecular Halogen Bonds

    Article • December 2017, MDPI AG

    Rafael Nunes

  9. Ion-Pair Halogen Bonds in 2-Halo-Functionalized Imidazolium Chloride Receptors: Substituent and Solvent Effects

    Article • Chemistry - An Asian Journal, February 2017, Wiley

    Rafael Nunes

  10. Wittig Reaction: Domino Olefination and Stereoselectivity DFT Study. Synthesis of the Miharamycins’ Bicyclic Sugar Moiety

    Article • Organic Letters, November 2015, American Chemical Society (ACS)

    Dr Susana Dias Lucas, Rafael Nunes

  11. Synthesis and evaluation of N-acylamino acids derivatives of triazenes. Activation by tyrosinase in human melanoma cell lines

    Article • European Journal of Medicinal Chemistry, December 2013, Elsevier

    Ana Francisco, Rafael Nunes, Paula Videira