Category: News

Free Energy Workshop Poster Prize Winners

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 phosphatidylinositol phosphate lipids: structures and…

CompBioMed Session at the 14th Congress of the World Federation of Interventional and Therapeutic Neuroradiology, 16-19th October 2017, Budapest

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 clinicians entitled: “Back to the…

In Silico Drug Safety and Efficacy Symposium, Oxford, 21-22 September 2017

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 latest scientific advancements, and joint…

InSiDE, Spring 2017 Edition Out Now

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 Excellence for Germany Featuring our…

CompBioMed Paper on Cover of JCTC Issue

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 cover image is shown below:

HPC Interactive Day Event

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 questions you might have. Event…