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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

View video

Buidling a FAIR Bioinformatics Environment

Supporting the Pharmaceutical Industry: BioExcel experts visit UCB

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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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Job: Postdoc in HPC in Computational Biomolecular Research at KTH, Stockholm

We are seeking a researcher with a doctoral degree in computer science, computational science, biophysics or a related field who has extensive experience using GROMACS and working with large-scale high ...

Read more »

Latest News

  • The BioExcel/PDBe Hackathon: in situ development of computational resources

    The BioExcel/PDBe Hackathon: in situ development of computational resources

    December 10, 2018
  • GROmaρs: a GROMACS-based toolset to analyse density maps derived from molecular dynamics simulations

    GROmaρs: a GROMACS-based toolset to analyse density maps derived from molecular dynamics simulations

    December 5, 2018
  • Job: Postdoc in HPC in Computational Biomolecular Research at KTH, Stockholm

    Job: Postdoc in HPC in Computational Biomolecular Research at KTH, Stockholm

    December 1, 2018
  • GROMACS 2018.4 is available

    GROMACS 2018.4 is available

    November 13, 2018
  • New 2018 European HPC Handbook released

    New 2018 European HPC Handbook released

    November 8, 2018

Webinars

  • Webinar: MDBenchmark: a tedious task – made straightforward (2018-11-23)

    Webinar: MDBenchmark: a tedious task – made straightforward (2018-11-23)

  • 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: How to contribute to GROMACS code and documentation: where it is and how to use it (2018-10-30)

    Webinar: How to contribute to GROMACS code and documentation: where it is and how to use it (2018-10-30)

  • 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)

Featured

  • The BioExcel/PDBe Hackathon: in situ development of computational resources

    The BioExcel/PDBe Hackathon: in situ development of computational resources

    December 10, 2018
  • Job: Postdoc in HPC in Computational Biomolecular Research at KTH, Stockholm

    Job: Postdoc in HPC in Computational Biomolecular Research at KTH, Stockholm

    December 1, 2018

Events

  • Workshop on “Sharing Data from Molecular Simulations”

    Workshop on “Sharing Data from Molecular Simulations”

  • BioExcel/MolSSI Workshop on Workflows in Biomolecular Simulations

    BioExcel/MolSSI Workshop on Workflows in Biomolecular Simulations

  • 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

Publications

  • GROmaρs: a GROMACS-based toolset to analyse density maps derived from molecular dynamics simulations

    GROmaρs: a GROMACS-based toolset to analyse density maps derived from molecular dynamics simulations

    December 5, 2018
  • New 2018 European HPC Handbook released

    New 2018 European HPC Handbook released

    November 8, 2018
  • An enhanced-sampling MD-based protocol for molecular docking

    An enhanced-sampling MD-based protocol for molecular docking

    October 10, 2018
  • Large-scale prediction of binding affinity in protein-small ligand complexes: the PRODIGY-LIG web server.

    Large-scale prediction of binding affinity in protein-small ligand complexes: the PRODIGY-LIG web server.

    September 21, 2018

Job Opportunities

  • Job: Postdoc in HPC in Computational Biomolecular Research at KTH, Stockholm

  • Job: PhD position in BioSciences – University of Bath

  • Job: Senior Scientist – CADD at UCB Pharma

  • Job: Scientific Programmer at KTH, Stockholm

  • Scientific Project Officer, EMBL-EBI

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Funding

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

· © 2018 BioExcel ·

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