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Dr Albert Ardevol Grau

Team Leader


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Dr Albert Ardevol is team leader in the Protein and Molecular Modelling team. His main area of expertise is in protein modelling, computational enzymology and drug design. He combines computational and experimental approaches to deliver solutions in protein engineering and drug design.

As a modeller, he works in modelling therapeutic proteins and antibodies , membrane proteins, and engineering new enzymes for biotechnological applications. He provides computational support for hit-to-lead optimization, virtual docking and high-throughput virtual screening. He has background in methods development and application to multidisciplinary projects.

Albert's aim is to combine the best modelling and experimental forces to make an real impact that benefits society and that increases our scientific knowledge.

Other Interests

Biomolecular Modelling
* de-novo protein folding
* Protein engineering
* Drug design
* Statistical mechanics

* CryoEM and model refinement
* X-ray crystallography

* Teaching
* Science Outreach

Current Roles

  • Team Leader
    Protein and Molecular Modelling Team

  • Work Package Lead
    revolutionizing packaging - Ending Plastic Waste Mission

Academic Qualifications

  • 2012

    PhD in Computational Chemistry
    Autonomous University of Barcelona

  • 2007

    MSc in Biochemistry and Molecular Biology
    Autonomous University of Barcelona

  • 2005

    Degree in Chemistry
    Ramon Llull University - IQS

Professional Experiences

  • 03/2018-08/2022

    Research Scientist

  • 10/2014-03/2018

    Marie S. Curie fellow
    Max Planck Institute for Biophysics (Germany)

  • 02/2012-09/2014

    EMBO fellow
    ETH Zürich (Switzerland) - Department of Chemistry and Applied Biosciences

Other highlights

  • 2015-2015

    Science "Direct observation of ultrafast collective motions in myoglobin upon ligand dissociation"

  • 2018-2018

    PNAS "Retinal isomerization and water-pore formation in Channelrhodopsin-2"

  • 2016-2016

    Nanoscale "The interactions with gold suppresses fiber-like conformations of hte amyloid beta (16-22) peptide"

  • 2016-2016

    JCTC "General, PDB-based collective variables for protein folding"


  • 04/2015-03/2017

    Marie S. Curie fellowship (EU)

  • 02/2012-03/2014

    EMBO long-term fellowship (EU)

  • 02/2009-01/2012

    Pre-doctoral FPU fellowship (Spain)

Community and Corporate Citizenship

  • 03/2022-current

    First Aid Officer

We have publications by Dr Albert Ardevol Grau