Publicaciones en colaboración con investigadores/as de Universidad de Alcalá (12)

2024

  1. The preventive and therapeutic consumption of meat enriched with carob fruit extract, rich in phenolic compounds, improves colonic antioxidant status in late-stage T2DM rats

    Food Chemistry, Vol. 450

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

2017

  1. Observation of nonanoic acid and aldehydes in exhaled breath of patients with lung cancer

    Journal of Breath Research, Vol. 11, Núm. 2

2013

  1. Estudio de compuestos orgánicos volátiles en aire exhalado en una población clínicamente sana: efecto del tabaquismo

    Archivos de Bronconeumologia, Vol. 49, Núm. 11, pp. 457-461

  2. Volatile Organic Compounds in Exhaled Breath in a Healthy Population: Effect of Tobacco Smoking

    Archivos de Bronconeumologia, Vol. 49, Núm. 11, pp. 457-461

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. Synthesis, biological assessment and molecular modeling of 14-aryl-10,11,12,14-tetrahydro-9H-benzo[5,6]chromeno[2,3-b]quinolin-13-amines

    Bioorganic and Medicinal Chemistry Letters, Vol. 21, Núm. 8, pp. 2384-2388

  2. 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

2005

  1. Properties of 2,2,2-trifluoroethanol/water mixtures: Acidity, basicity, and dipolarity

    Helvetica Chimica Acta, Vol. 88, Núm. 2, pp. 312-324