How to look for hidden drug binding pockets

Cryptic pockets are hidden and appear only when a ligand molecule is actually bound. Now researchers have developed a novel sampling approach, which can detect hidden binding pockets in proteins that were before deemed undruggable. Their approach could even help to battle the current coronavirus pandemic.

Shock-related buffeting in aeroplanes

Shock-related buffeting is a phenomenon that occurs when air passes over the wing of an aeroplane under extreme conditions and can have profound consequences for how wings are engineered and their durability. Professor Neil Sandham of the University of Southampton has been investigating this using direct numerical simulations.

PRACE SHAPE 10th Call awards five inspiring SMEs projects for HPC access

The PRACE 10th SHAPE Call for Applications received five innovative proposals from SMEs across five different countries. For the first time projects from Slovenia and Turkey are included in the SHAPE Call results. All five submitted proposals were awarded for the PRACE SHAPE pan-European programme. This programme promotes High-Performance Computing (HPC) adoption by SMEs (small and medium-sized enterprises) and it’s free of charge.

PRACE 20th Call for Proposals increases number of systems offering GPUs to researchers

The 20th Call for Proposals for PRACE Project Access received 59 eligible proposals, of which 45 were awarded a total of 2.11 billion core hours. This brings the total number of Project Access projects awarded to 779 since 2010. Taking into account the five multi-year projects from the 16th and 18th Calls that were renewed and will enter their third and second years respectively, and the 13.8 million core hours reserved for Centres of Excellence, the total amount of computing time awarded by PRACE to date totals nearly 25 billion core hours.