Molegro Virtual Docker 5.0

Molegro has released the latest version of Virtual Docker, an integrated platform for computational drug design available for Windows, Linux and Mac OS X.

Molegro Virtual Docker 5.0 offers high-quality protein-ligand docking based on novel optimisation techniques combined with a user interface experience focusing on usability and productivity.

The latest version includes GPU-accelerated docking on Cuda-supported hardware, making it possible to screen drug-like compounds up to 30 times faster than using conventional CPU-based methods. The new 2D Ligand Map provides an easy way to inspect and visualise protein-ligand interactions.


For functionality and security for externalised research, software providers have turned to the cloud, writes Sophia Ktori


Robert Roe investigates the growth in cloud technology which is being driven by scientific, engineering and HPC workflows through application specific hardware


Robert Roe learns that the NASA advanced supercomputing division (NAS) is optimising energy efficiency and water usage to maximise the facility’s potential to deliver computing services to its user community


Robert Roe investigates the use of technologies in HPC that could help shape the design of future supercomputers