Evaluation of high performance computing platforms for drug discovery

Abstract

In my dissertation, we evaluate the current landscape of computation, using as a case study a high-impact problem for society as virtual screening. Virtual screening is a computational tool extensively used for drug discovery. The study has covered all processing levels, starting with an extensive analysis of the different commercially available alternatives at chip level, through their evaluation in a cluster environment, to scale to cloud computing and volunteer computing levels.

Keywords

• virtual screening