News

Congratulations to Fiona Naughton, Matteo Aldeghi, and Wojciech Kopec, who won first, second, and third prize respectively for their superb posters at the CompBioMed Event “Free Energy Calculations from Molecular Simulation: Applications in Life and Medical Sciences” on May 31st 2017. Fiona’s poster covered interactions of pleckstrin homology domains with ...

CompBioMed has published a paper on rapid and accurate assessment of GPCR–ligand interactions using the fragment molecular orbital-based density-functional tight-binding method. This paper is available now from the Journal of Computational Chemistry here ...

The June edition of the EPCC Newsletter is now available, featuring CompBioMed ...

As part of the 14th Congress of the World Federation of Interventional and Therapeutic Neuroradiology, a short morning session has been organised by Dr. Gabor Zavodszky from University of Amsterdam at the start of the conference (16th October) that aims to point out the significance of cooperation between scientists and ...

The June edition of EPCC Newsletter has now been published with a focus on many of the European projects that they are involved in. CompBioMed feature on the cover and an article as part of the Newsletter. You can read the Newsletter here ...

The “In Silico Drug Safety and Efficacy” Symposium will take place in Oxford on September 21-22, 2017. This is an exciting opportunity to discuss the latest developments on in-silico assessment of drug cardiac safety and efficacy with key players across academia, industry, hospitals and regulatory agencies. Speakers will present the ...

Twice per year, the Gauss Centre for Supercomputing publishes the journal InSiDE. It reports on applications, systems and performance, news and courses of the three member centres (HLRS, LRZ, JSC). The Spring 2017 Edition is out now: Articles of particular interest include: 1) GCS: Delivering 10 Years of Integrated HPC ...

The Journal of Chemical Theory and Computation have awarded the cover for their April issue to the CompBioMed paper from Agastya Bhati, Shunzou Wan, David Wright, and Peter Coveney, “Rapid, accurate, precise and reliable relative free energy prediction using ensemble based thermodynamic integration”. You can view the issue here, the ...

To all considering doing HPC in public cloud, on June 8th Oxford University, along with Ellexus and Alces Flight, are hosting an interactive day with HPC at the Oxford SIG. The event is free to attend. Post-event reception after at the Royal Oak pub. Just bring your laptop and any ...

CompBioMed has been featured in a recent article in the BioCores website, thanks to an interview with our Applications Manager, Mariano Vazquez at the Barcelona Supercomputing Centre. You can read the full article here ...