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Centre of Excellence for Computational Biomolecular Research

Centre of Excellence for Computational Biomolecular Research

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BioExcel Introductory Video

Short video presentation of the center

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Our interest groups

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BioExcel 2nd SIG Meeting: “Advanced Simulations for Biomolecular Research” @ ECCB 2018

SIG BioExcel is a major venue for knowledge exchange and networking for the computational biomolecular research community.

We offer a limited amount of Travel Bursaries for flash talk presenters! ...

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BioExcel Whitepaper on Scientific Software Development

Do you need to write correct software for your science? Will your software need to change over time? Do you need to make your software faster, or more scalable? How will your users learn how to use your ...

Read more »

Latest News

  • Hear from our travel grant beneficiaries

    Hear from our travel grant beneficiaries

    August 1, 2018
  • Experiences from the Joint MuG-BioExcel Workshop: Multiscale Nucleic Acids Simulations

    Experiences from the Joint MuG-BioExcel Workshop: Multiscale Nucleic Acids Simulations

    July 19, 2018
  • BioExcel Centre of Excellence in ELIXIR all-hands Berlin 2018

    BioExcel Centre of Excellence in ELIXIR all-hands Berlin 2018

    July 2, 2018
  • HADDOCK: Over 200,000 served

    HADDOCK: Over 200,000 served

    June 27, 2018
  • New Software Release: COMPSs 2.3

    New Software Release: COMPSs 2.3

    June 26, 2018

Webinars

  • Webinar: BioSimSpace – filling the gaps between molecular simulation codes (2018-06-27)

    Webinar: BioSimSpace – filling the gaps between molecular simulation codes (2018-06-27)

  • Webinar: Furthering our understanding of Antibody Structure space: the Pistoia Alliance AbVance project (2018-06-13)

    Webinar: Furthering our understanding of Antibody Structure space: the Pistoia Alliance AbVance project (2018-06-13)

  • Webinar: High-Confidence Protein−Ligand Complex Modeling by NMR Guided Docking Enables Early Hit Optimization (2018-05-10)

    Webinar: High-Confidence Protein−Ligand Complex Modeling by NMR Guided Docking Enables Early Hit Optimization (2018-05-10)

  • Webinar: Finding a trade-off between speed and accuracy in protein-ligand binding description (2018-04-26)

    Webinar: Finding a trade-off between speed and accuracy in protein-ligand binding description (2018-04-26)

Featured

  • BioExcel Centre of Excellence in ELIXIR all-hands Berlin 2018

    BioExcel Centre of Excellence in ELIXIR all-hands Berlin 2018

    July 2, 2018
  • New Software Release: COMPSs 2.3

    New Software Release: COMPSs 2.3

    June 26, 2018

Events

  • GROMACS 2018 developer / power-user workshop

    GROMACS 2018 developer / power-user workshop

  • BioExcel 2nd SIG Meeting: “Advanced Simulations for Biomolecular Research” @ ECCB 2018

    BioExcel 2nd SIG Meeting: “Advanced Simulations for Biomolecular Research” @ ECCB 2018

  • BioExcel-MolSSI Symposium at PASC 2018

    BioExcel-MolSSI Symposium at PASC 2018

  • Multi-resolution Nucleic Acids Simulations. A joint MuG-BioExcel workshop.

    Multi-resolution Nucleic Acids Simulations. A joint MuG-BioExcel workshop.

  • Hünfeld 2018: Computer Simulation and Theory of Macromolecules

    Hünfeld 2018: Computer Simulation and Theory of Macromolecules

Publications

  • M3: an integrative framework for structure determination of molecular machines

    M3: an integrative framework for structure determination of molecular machines

    July 12, 2018
  • Performance of HADDOCK and a simple contact-based protein-ligand binding affinity predictor in the D3R Grand Challenge 2

    Performance of HADDOCK and a simple contact-based protein-ligand binding affinity predictor in the D3R Grand Challenge 2

    June 27, 2018
  • BioExcel Whitepaper on Scientific Software Development

    BioExcel Whitepaper on Scientific Software Development

    May 21, 2018
  • SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots

    SpotOn: High Accuracy Identification of Protein-Protein Interface Hot-Spots

    February 7, 2018

Job Opportunities

  • Job: Scientific Programmer at KTH, Stockholm

  • Scientific Project Officer, EMBL-EBI

  • PhD position in “Modeling and Simulation of Chemical Senses”, FZ Juelich

  • Job: Post-doctoral researcher with the HADDOCK team

  • PhD Studentship starting Oct 2018/19: Computational Biophysics

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Funding

BioExcel is funded by the European Union
Horizon 2020 program under grant agreement 675728

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