Publicacións nas que colabora con Federico Gago Badenas (6)

2020

  1. Distinct binding of cetirizine enantiomers to human serum albumin and the human histamine receptor H1

    Journal of Computer-Aided Molecular Design, Vol. 34, Núm. 10, pp. 1045-1062

2019

  1. All-atom catalytic cycle of Lactobacillus nucleoside 2’-deoxyribosyltransferases

    BIOTRANS 2019

  2. Reaction mechanism of nucleoside 2′-deoxyribosyltransferases: Free-energy landscape supports an oxocarbenium ion as the reaction intermediate

    Organic and Biomolecular Chemistry, Vol. 17, Núm. 34, pp. 7891-7899

2012

  1. CRDOCK: An ultrafast multipurpose protein-ligand docking tool

    Journal of Chemical Information and Modeling, Vol. 52, Núm. 8, pp. 2300-2309

  2. MM-ISMSA: An ultrafast and accurate scoring function for protein-protein docking

    Journal of Chemical Theory and Computation, Vol. 8, Núm. 9, pp. 3395-3408

2011

  1. VSDMIP 1.5: An automated structure- and ligand-based virtual screening platform with a PyMOL graphical user interface

    Journal of Computer-Aided Molecular Design, Vol. 25, Núm. 9, pp. 813-824