Didier Barradas Bautista , PhD

Postdoctoral Fellows

​Postdoctoral Fellow


Research Interests

Provide a computational support to the development of new or better performing catalysts, leading to the synthesis of new materials:


  • Develop new steric descriptors for the quantification of steric and electronic effects in transition metal based catalysts with the aim to rationalize the highly disorganized and chaotic catalytic space, to orientate experimental efforts towards possibly well performing catalysts, and away from the ineffective ones.
  • Rationalize new catalysts in strict collaboration with experimental groups through detailed mechanistic studies.
  • Use the computational techniques to screen novel catalyst architectures more rapidly, and to obtain insights that could help in the design andn experimental synthesis of novel and improved catalysts.

Selected Publications

  • IRaPPA: information retrieval based integration of biophysical models for protein assembly selection 
    IH. Moal, D. Barradas-Bautista, et al
    Bioinformatics , (2017)
  • Docking-based modeling of protein-protein interfaces for extensive structural and functional characterization of m... 
    D. Barradas-Bautista, J. Fernández-Recio
    PLoS ONE , (2017)
  • A systematic analysis of scoring functions in rigid-body protein docking: The delicate balance between the predicti... 
    D. Barradas-Bautista, IH. Moal, J. Fernández-Recio
    Proteins: structure, function, and bioinformatics , (2017)
  • Structural Prediction of Protein-Protein Interactions by Docking: Application to Biomedical Problems 
    D Barradas-Bautista, M Rosell, C Pallara, J Fernández-Recio
    Advances in Protein Chemistry and Structural Biology, (2018)


  • ​B.Sc, Science (Biochemistry), Autonomous University of Morelos State, 2008
  • M.Sc, Biochemistry, National Autonomous University of Mexico, 2011
  • Ph.D., Biomedicine, Universitat de Barcelona, Barcelona, Spain, 2017

Professional Profile

  • ​2008-2009: Lab technician, INSP, Cuernavaca, Mexico
  • 06/2017 - 01/2017: Postdoctoral fellow, CINVESTAV, Mexico City, Mexico
  • 02/2018-present: Postdoctoral fellow, KAUST, Thuwal, Saudi Arabia

Scientific and Professional Membership

  • ​SBE (Spanish Biophysical Society)
  • REFEP-Mex ( Mexican Scienctific Network of Evolution, Function and Structure of Proteins )


  • Ph.D. Cum Laude From the Barcelona University
  • Superior education scholarship from CONACYT 2012-2016
  • Superior education scholarship from CONACYT 2008-2011

KAUST Affiliations

KAUST Catalysis Center (KCC)
Division of Physical Sciences and Engineering (PSE)

Research Interests Keywords

Computational Biology Protein docking Network biology Bioinformatics et.al.