How Proteros accelerates drug discovery by using AWS ParallelCluster | Amazon Web Services

How Proteros accelerates drug discovery by using AWS ParallelCluster | Amazon Web Services

Proteros is a leader in structure-based drug discovery solutions, and supports pharmaceutical, biotechnological, and academic clients with advanced technologies like Cryogenic Electron Microscopy (Cryo-EM) and Protein Crystallography (PX).

In this blog post, we’ll explore how Proteros implemented an HPC solution that scales with their scientific ambitions. We’ll talk about how they started with a secure AWS Landing Zone as their foundation. Then we’ll show how they systematically built on this with cryoSPARC and AWS ParallelCluster, and a new innovative hybrid storage approach. Finally, we’ll examine the key architectural decisions that enabled them achieving high scalability, while delivering substantial cost efficiencies compared with conventional HPC solutions ¾ all without compromising performance.

The challenges

Cryo-EM and PX are essential for visualizing protein structures at near-atomic resolution. Cryo-EM is a Nobel Prize-winning…

https://aws.amazon.com/blogs/hpc/how-proteros-accelerates-drug-discovery-by-using-aws-parallelcluster/