Publicacións en colaboración con investigadores/as de Universitat de Barcelona (15)

2021

  1. Discovery of Diverse Natural Products as Inhibitors of SARS-CoV-2 MproProtease through Virtual Screening

    Journal of Chemical Information and Modeling, Vol. 61, Núm. 12, pp. 6094-6106

  2. Fragment dissolved molecular dynamics: A systematic and efficient method to locate binding sites

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 4, pp. 3123-3134

2020

  1. Molecular Determinants for the Activation/Inhibition of Bak Protein by BH3 Peptides

    Journal of chemical information and modeling, Vol. 60, Núm. 3, pp. 1632-1643

2017

  1. Binding of the anticancer drug BI-2536 to human serum albumin. A spectroscopic and theoretical study

    Journal of Photochemistry and Photobiology B: Biology, Vol. 172, pp. 77-87

2011

  1. Predicting binding energies of CDK6 inhibitors in the hit-to-lead process

    Theoretical Chemistry Accounts, Vol. 128, Núm. 4, pp. 807-823