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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 Summer School on Biomolecular Simulations 2018

Limited seats! Lectures and hands-on sessions on MD simulations, Docking, QM/MM, Free energy calculations, and Advanced sampling methods (metadynamics). Learn how to integrate BioExcel flagship ...

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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

  • HPCE3: Fourth Call for Applications is OPEN!

    HPCE3: Fourth Call for Applications is OPEN!

    April 18, 2018
  • Call for SME Proposals for Projects Accessing VI-SEEM Resources and Services

    Call for SME Proposals for Projects Accessing VI-SEEM Resources and Services

    March 29, 2018
  • GROMACS 2018.1 is available

    GROMACS 2018.1 is available

    March 23, 2018
  • Webinar: GROMACS 2018 – overview of the new features and capabilities (2018-03-27)

    Webinar: GROMACS 2018 – overview of the new features and capabilities (2018-03-27)

    March 21, 2018
  • ISQBP President’s meeting & MuG-BioExcel Multi-resolution Nucleic Acids Simulations Workshop in Barcelona

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

    March 15, 2018

Webinars

  • 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)

  • Webinar: Perspective on the Martini Force Field (2018-04-18)

    Webinar: Perspective on the Martini Force Field (2018-04-18)

  • Webinar: MC_DNA: A web server for the detailed study of the structure and dynamics of DNA and chromatin fibers. (2018-04-11)

    Webinar: MC_DNA: A web server for the detailed study of the structure and dynamics of DNA and chromatin fibers. (2018-04-11)

Featured

  • BioExcel Travel Bursaries available for Hünfeld 2018 Workshop Participation

    BioExcel Travel Bursaries available for Hünfeld 2018 Workshop Participation

    January 31, 2018
  • GROMACS 2018 official release

    GROMACS 2018 official release

    January 16, 2018

Events

  • 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

  • Applied Bioinformatics in Life Sciences Conference

    Applied Bioinformatics in Life Sciences Conference

  • BioExcel Summer School on Biomolecular Simulations 2018

    BioExcel Summer School on Biomolecular Simulations 2018

Publications

  • 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
  • Identifiers for the 21st century: How to design, provision, and reuse persistent identifiers to maximize utility and impact of life science data

    Identifiers for the 21st century: How to design, provision, and reuse persistent identifiers to maximize utility and impact of life science data

    July 10, 2017

Job Opportunities

  • 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

  • Chemogenomics Analyst, 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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