Peter Coveney and Chris Greenwell have authored an article “The cross-subsidy of research by teaching is a myth” on Times Higher Education (THE), the article addresses the fiction of academic research being loss-making, which is used to draw more money to the centres of universities. You can read the article here.
A CompBioMed job vacancy is now available at UCL, deadline for applications is Jan 5th. The post is for a Research Associate in Computational Molecular Dynamics. For more information, please follow the link.
A number of CompBioMed partners have been awarded a two year project at Leibniz Supercomputing Centre with an allocation on SuperMUC of 28 million core hours over two years, effective immediately. The project is led by Prof Dr Dieter Kranzmüller, Director of LRZ and Professor of Computer Science at Ludwig Maximillians Universitet, Munich. Partners include…
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 gave a keynote talk at IWSG 2017 on Exploiting International e-Infrastructures for Large Scale Computational Science, with a focus on medical simulation scenarios.
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 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.
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…
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: