Exploring proteins using virtual reality
Prospective students at Universiteit Utrecht, one of BioExcel’s partners, got a chance to experience biology in a whole new way at a recent open day: virtual reality. Using an HTC Vive headset and the UnityMol virtualisation engine, visitors to the open day were able to explore and discover molecules in a hands-on way. The popularisation […]
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Structure of the bacterial plant-ferredoxin receptor FusA
We are pleased to announce the publication of this paper, which utilises the HADDOCK docking software, in the journal Nature Communications. Abstract Iron is a limiting nutrient in bacterial infection putting it at the centre of an evolutionary arms race between host and pathogen. Gram-negative bacteria utilize TonB-dependent outer membrane receptors to obtain iron during infection. […]
Read MoreExploring the interplay between experimental methods and the performance of predictors of binding affinity change upon mutations in protein complexes
We are pleased to announce the publication of this paper, in the journal, “Protein Engineering, Design, and Selection”. Abstract Reliable prediction of binding affinity changes (ΔΔG) upon mutations in protein complexes relies not only on the performance of computational methods but also on the availability and quality of experimental data. Binding affinity changes can be […]
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dMM-PBSA: a new HADDOCK scoring function for protein-peptide docking
We are pleased to announce the publication of this paper, in the journal ‘Frontiers in Molecular Biosciences’. Abstract Molecular-docking programs coupled with suitable scoring functions are now established and very useful tools enabling computational chemists to rapidly screen large chemical databases and thereby to identify promising candidate compounds for further experimental processing. In a broader scenario, […]
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Webinar: Defining training requirements for biomolecular researchers with high computational needs (2016-11-23)
The 9th webinar in BioExcel’s webinar series on computational methods and applications for biomolecular research took place on 23rd November 2016. Discuss this webinar View slides on SlideShare Join Interest Group Cath Brooksbank from EMBL-EBI talks about the work that is underway to define training requirements for biomolecular researchers with high computational needs. BioExcel webinars include an audience Q&A session during which attendees can ask questions […]
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GROMACS Official Release 2016.1
Hi GROMACS users, The official release of GROMACS 2016.1 is available! This release fixes several issues found since 2016, and incorporates all the fixes found in the recent 5.1.4 release. We encourage all users of the 2016 series to update to 2016.1. Please see the link to the release notes below for more […]
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