Peter Coveney at ISC 2017
Peter Coveney gave a talk on “Rapid, Accurate & Reliable Binding Affinity Calculations for Drug Discovery” at the “High Performance Computing in Life Sciences” session at ISC 2017 on June 20th.
Peter Coveney at IWSG 2017
Peter Coveney gave a keynote talk at IWSG 2017 on Exploiting International e-Infrastructures for Large Scale Computational Science, with a focus on medical simulation scenarios.
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…
New CompBioMed Publication on GPCR–ligand interactions
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.
June 2017 EPCC Newsletter
The June edition of the EPCC Newsletter is now available, featuring CompBioMed.
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…
CompBioMed Cover Story of EPCC Newsletter
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
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: