BioExcel and WestLife have supported the work on a complete new design (and machinery) of the HADDOCK portal. The new version (HADDOCK2.4) does support cryo-EM data and will allow multibody docking up to 20 molecules! Description of its implementation is available in Zenodo (DOI:10.5281/zenodo.1252961) as a WestLife project deliverable. We […]
The sixth HPCE3 Transnational Access Call for researchers is OPEN with a closing date 15 November 2018. If you are a professor or a postdoctoral researcher or a Ph.D. student or a master’s degree student who is doing the final diploma project – please apply at http://www.hpc-europa.eu. Applicants can be […]
BioExcel continues its direct support to industry through site visits. In late May we were pleased to visit UCB’s research site in Braine D’Alleud, Belgium for an exciting day of in depth discussions. The morning started with our host, Dr Zara Sands of the Computer Aided drug Design group, giving […]
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 for us, either about their experiences at the course, their research interests (in layman’s terms) or a relevant scientific topic. […]
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 prize was awarded “for the development of multiscale models for complex chemical systems.” In this interview, we speak with one […]
BioExcel’s webinar series continue with a presentation by Caitlin C. Bannan Mobley Group, UC Irvine – Chemistry Department Register Abstract The Open Force Field Initiative (openforcefield.org) is developing a machinery to automatically parameterize molecular mechanics force fields. An important part of this process will be automating chemical perception — […]