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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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Interview with Professor Michael Levitt, 2013 Nobel Laureate in Chemistry

In 2013 the Nobel Prize in Chemistry was awarded jointly to three scientists who laid the foundations of computational biomolecular research – Martin Karplus, Michael Levitt and Arieh Warshel. The ...

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Webinar: Immersive visual exploration of biomolecular systems in virtual reality – from static views to interactive dynamics (2018-10-04)

 BioExcel’s webinar series continue with a presentation by Marc Baaden, CNRS (Centre National de la Recherche Scientifique). Register Abstract For several years now, my team pursues ...

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Latest News

  • New HADDOCK2.4 server coming up

    New HADDOCK2.4 server coming up

    October 10, 2018
  • HPCE3: Sixth Call for Applications is OPEN!

    HPCE3: Sixth Call for Applications is OPEN!

    October 9, 2018
  • Supporting the Pharmaceutical Industry: BioExcel experts visit UCB’s R&D site in Belgium

    Supporting the Pharmaceutical Industry: BioExcel experts visit UCB’s R&D site in Belgium

    October 8, 2018
  • Hear from our 2018 SIG Meeting travel grant beneficiaries

    Hear from our 2018 SIG Meeting travel grant beneficiaries

    October 5, 2018
  • Webinar: Open Force Field Initiative: The SMIRNOFF format and learned chemical perception (2018-10-10)

    Webinar: Open Force Field Initiative: The SMIRNOFF format and learned chemical perception (2018-10-10)

    September 15, 2018

Webinars

  • Webinar: COMPSs: a high level framework for the development of parallel applications (2018-11-07)

    Webinar: COMPSs: a high level framework for the development of parallel applications (2018-11-07)

  • Webinar: Open Force Field Initiative: The SMIRNOFF format and learned chemical perception (2018-10-10)

    Webinar: Open Force Field Initiative: The SMIRNOFF format and learned chemical perception (2018-10-10)

  • Webinar: Immersive visual exploration of biomolecular systems in virtual reality – from static views to interactive dynamics (2018-10-04)

    Webinar: Immersive visual exploration of biomolecular systems in virtual reality – from static views to interactive dynamics (2018-10-04)

  • Webinar: Molecular simulation control and extension with gmxapi for GROMACS. (2018-09-19)

    Webinar: Molecular simulation control and extension with gmxapi for GROMACS. (2018-09-19)

Featured

  • Supporting the Pharmaceutical Industry: BioExcel experts visit UCB’s R&D site in Belgium

    Supporting the Pharmaceutical Industry: BioExcel experts visit UCB’s R&D site in Belgium

    October 8, 2018
  • Interview with Professor Michael Levitt, 2013 Nobel Laureate in Chemistry

    Interview with Professor Michael Levitt, 2013 Nobel Laureate in Chemistry

    September 18, 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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