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Hear from our 2019 BioExcel/PRACE Seasonal School travel grant beneficiaries

August 5, 2019November 3, 2022Michelle Mendonca

For each of our BioExcel training events we make a limited number of travel bursaries available. We ask the beneficiaries of the BioExcel travel grant to write a blog post… [...]

BioExcel Alchemical Free Energy workshop

June 17, 2019November 3, 2022Michelle Mendonca

Philip Fowler travelled to Germany to attend the BioExcel Alchemical Free Energy workshop in Göttingen where he gave a talk. Rapidly and accurately calculating the binding free energy of a small… [...]

CP2K

QM/MM with GROMACS & CP2K Most biochemical systems, such as enzymes, are too large to be described at any level of ab initio or density functional theory. At the same… [...]

Webinar: Prediction of protein-protein interactions in CAPRI: an increasingly integrative approach (2019-06-27)

June 5, 2019November 3, 2022Clair Barrass

BioExcel’s webinar series continue with a presentation by Shoshana Wodak and Marc Lensink Register Abstract CAPRI (Critical Assessment of PRediction of Interaction) is a community wide experiment designed to test… [...]

GROMACS 2018.7 is available

May 29, 2019November 3, 2022Paul Bauer

The official release of GROMACS 2018.7 is available! This release fixes several issues found since 2018.6. We encourage all users of the 2018 series to update to 2018.7. Please see… [...]

Alchemical Free Energy Workshop 2019

27 May, 2019 – 28 May, 2019 @ All Day – Welcome to the European Alchemical Free Energy Workshop on 27-28 May 2019. If you are involved in drug design or biotech research, you may be familiar with the biennial Alchemical Free Energy workshops in the US. Based on the positive feedback from the workshop we co-organised in 2017, from this year, BioExcel, the leading European […] [...]

Webinar: GROMACS 2019 – overview of the new features and capabilities (2019-05-17)

May 3, 2019November 3, 2022Clair Barrass

BioExcel’s webinar series continue with a presentation by Mark Abraham Register Abstract Each new major release of GROMACS brings with it the latest in feature development, hardware support, performance enhancements,… [...]

7th CAPRI Evaluation Meeting

April 30, 2019November 3, 2022Michelle Mendonca

Rodrigo Ochoa attended the 7th CAPRI Evaluation Meeting held at EMBL-EBI, where he shares his insights on the event. The 7th version of the CAPRI Evaluation meeting was held at… [...]

Collaborative partnership with Instruct-ERIC

April 29, 2019November 3, 2022Michelle Mendonca

BioExcel established a collaborative partnership with Instruct-ERIC to promote and enable integrated data solutions for the structural biology community, while also providing additional benefits to the broader biomolecular research community…. [...]

BioExcel Summer School on Biomolecular Simulations 2019

30 Jun, 2019 – 05 Jul, 2019 @ All Day – Date: Sunday 30 June – Friday 5 July 2019 Venue: Science and Technology Park of Sardinia, Pula, Italy Application opens: 18th February 2019 Application deadline: 26th April 2019 Notification date: 10th May 2019 Participation: Open application with selection Contact: Michelle Mendonca Registration fee: £394 (includes accommodation, all meals and transport to/from the airport & course venue) -Registrations now closed- Overview The […] [...]

BioExcel – Centre of Excellence for Computation Biomolecular Research

Centre of Excellence for Computational Biomolecular Research

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