Category: Compute

Introduction In biochemical processes development and analysis, binding energy, the energy released when a small molecule docks into a protein’s active site, determines how strongly a compound, such as a ligand, interacts with its protein target. Early-stage computational prediction of this quantity helps research teams prioritize candidates before committing to resource-intensive laboratory testing. Conventional methods […]

This blog post is an introduction to HPC on AWS for quantum computing researchers who are seeking to compare their quantum or hybrid algorithms against classical calculations.