Publicaciones en colaboración con investigadores/as de Centro de Biología Molecular Severo Ochoa (15)

2024

  1. Flexible structural arrangement and DNA-binding properties of protein p6 from Bacillus subtillis phage ϕ29

    Nucleic Acids Research, Vol. 52, Núm. 4, pp. 2045-2065

2020

  1. Generation of endoplasmic reticulum stress and inhibition of autophagy by plitidepsin induces proteotoxic apoptosis in cancer cells

    Biochemical Pharmacology, Vol. 172

2014

  1. ALFA: Automatic ligand flexibility assignment

    Journal of Chemical Information and Modeling, Vol. 54, Núm. 1, pp. 314-323

2013

  1. A structure-based design of new C2- and C13-substituted taxanes: Tubulin binding affinities and extended quantitative structure-activity relationships using comparative binding energy (COMBINE) analysis

    Organic and Biomolecular Chemistry, Vol. 11, Núm. 18, pp. 3046-3056

  2. Comparison of ultra-fast 2D and 3D ligand and target descriptors for side effect prediction and network analysis in polypharmacology

    British Journal of Pharmacology, Vol. 170, Núm. 3, pp. 557-567

2012

  1. A reverse combination of structure-based and ligand-based strategies for virtual screening

    Journal of Computer-Aided Molecular Design, Vol. 26, Núm. 3, pp. 319-327

  2. AtlasCBS: A web server to map and explore chemico-biological space

    Journal of Computer-Aided Molecular Design, Vol. 26, Núm. 9, pp. 995-1003

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

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

  4. 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

  5. Rationale for the opposite stereochemistry of the major monoadducts and interstrand crosslinks formed by mitomycin C and its decarbamoylated analogue at CpG steps in DNA and the effect of cytosine modification on reactivity

    Organic and Biomolecular Chemistry, Vol. 10, Núm. 8, pp. 1543-1552

  6. Tubulin-based structure-affinity relationships for antimitotic Vinca alkaloids

    Anti-Cancer Agents in Medicinal Chemistry, Vol. 12, Núm. 3, pp. 219-225

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

2010

  1. gCOMBIIME: A graphical user interface to perform structure-based comparative binding energy (COMBINE) analysis on a set of ligand-receptor complexes

    Proteins: Structure, Function and Bioinformatics, Vol. 78, Núm. 1, pp. 162-172

1989

  1. Complete nucleotide sequence of the hsp70 gene of T.cruzi

    Nucleic Acids Research

  2. Molecular cloning of a Drosophila potential Z-DNA forming sequence hybridizing in situ to a developmentally regulated subdivision of the polytene chromosomes

    Nucleic Acids Research, Vol. 17, Núm. 12, pp. 4579-4588