Publicaciones en colaboración con investigadores/as de Centro Nacional de Supercomputación (97)

2023

  1. Architecture of the ESCPE-1 membrane coat

    Nature Structural and Molecular Biology, Vol. 30, Núm. 7, pp. 958-969

  2. Impact of AlphaFold on structure prediction of protein complexes: The CASP15-CAPRI experiment

    Proteins: Structure, Function and Bioinformatics, Vol. 91, Núm. 12, pp. 1658-1683

2022

  1. pyDockDNA: A new web server for energy-based protein-DNA docking and scoring

    Frontiers in Molecular Biosciences, Vol. 9

2021

  1. Prediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment

    Proteins: Structure, Function and Bioinformatics, Vol. 89, Núm. 12, pp. 1800-1823

  2. UEP: an open-source and fast classifier for predicting the impact of mutations in protein-protein complexes

    Bioinformatics (Oxford, England), Vol. 37, Núm. 3, pp. 334-341

2020

  1. Docking approaches for modeling multi-molecular assemblies

    Current Opinion in Structural Biology, Vol. 64, pp. 59-65

  2. Docking-based identification of small-molecule binding sites at protein-protein interfaces

    Computational and Structural Biotechnology Journal, Vol. 18, pp. 3750-3761

  3. Integrative modeling of protein-protein interactions with pyDock for the new docking challenges

    Proteins: Structure, Function and Bioinformatics, Vol. 88, Núm. 8, pp. 999-1008

  4. Modeling of Protein Complexes and Molecular Assemblies with pyDock

    Methods in Molecular Biology (Humana Press Inc.), pp. 175-198

  5. PyDockEneRes: Per-residue decomposition of protein-protein docking energy

    Bioinformatics, Vol. 36, Núm. 7, pp. 2284-2285

  6. Structural Characterization of Protein-Protein Interactions with pyDockSAXS

    Methods in molecular biology (Clifton, N.J.), Vol. 2112, pp. 131-144

  7. Structural basis for the dominant or recessive character of GLIALCAM mutations found in leukodystrophies

    Human molecular genetics, Vol. 29, Núm. 7, pp. 1107-1120

2019

  1. Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment

    Proteins: Structure, Function and Bioinformatics, Vol. 87, Núm. 12, pp. 1200-1221

  2. SKEMPI 2.0: An updated benchmark of changes in protein-protein binding energy, kinetics and thermodynamics upon mutation

    Bioinformatics, Vol. 35, Núm. 3, pp. 462-469

  3. Structural and computational characterization of disease-related mutations involved in protein-protein interfaces

    International Journal of Molecular Sciences, Vol. 20, Núm. 7

2018

  1. Hot-spot analysis for drug discovery targeting protein-protein interactions

    Expert Opinion on Drug Discovery, Vol. 13, Núm. 4, pp. 327-338

  2. Intrinsically active MEK variants are differentially regulated by proteinases and phosphatases

    Scientific Reports, Vol. 8, Núm. 1

  3. LightDock: A new multi-scale approach to protein-protein docking

    Bioinformatics, Vol. 34, Núm. 1, pp. 49-55

  4. Structural Prediction of Protein–Protein Interactions by Docking: Application to Biomedical Problems

    Advances in Protein Chemistry and Structural Biology (Academic Press Inc.), pp. 203-249

2017

  1. Docking-based modeling of protein-protein interfaces for extensive structural and functional characterization of missense mutations

    PLoS ONE, Vol. 12, Núm. 8