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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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ISQBP President’s meeting & MuG-BioExcel Multi-resolution Nucleic Acids Simulations Workshop in Barcelona

BioExcel Centre of Excellence is involved in two co-located activities this June in Barcelona for scientists interested in Biomolecular Simulations and/or Quantum Biology and Pharmacology. The first activity ...

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Latest News

  • GROMACS 2018.2 is available

    GROMACS 2018.2 is available

    June 14, 2018
  • HPCE3: Fifth Call for Applications is OPEN!

    HPCE3: Fifth Call for Applications is OPEN!

    June 2, 2018
  • Strategic Partnership with VI-SEEM VRE

    Strategic Partnership with VI-SEEM VRE

    April 26, 2018
  • Supporting the Pharmaceutical Industry: BioExcel experts visit Janssen’s R&D site in Belgium

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

    April 25, 2018
  • HPCE3: Fourth Call for Applications is OPEN!

    HPCE3: Fourth Call for Applications is OPEN!

    April 18, 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

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

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

    April 25, 2018
  • GROMACS 2018 official release

    GROMACS 2018 official release

    January 16, 2018

Events

  • 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

  • BioExcel Summer School on Biomolecular Simulations 2018

    BioExcel Summer School on Biomolecular Simulations 2018

Publications

  • 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
  • Alchemical Free Energy Calculations for Nucleotide Mutations in Protein–DNA Complexes

    Alchemical Free Energy Calculations for Nucleotide Mutations in Protein–DNA Complexes

    January 8, 2018
  • Robust cross-platform workflows: how technical and scientific communities collaborate to develop, test and share best practices for data analysis

    Robust cross-platform workflows: how technical and scientific communities collaborate to develop, test and share best practices for data analysis

    November 13, 2017

Job Opportunities

  • 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

  • User Support Bioinformatician, EMBL-EBI

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Funding

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

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