Drug Discovery Performance Comparison Internship for an Undergraduate Student

David Toth, Centre College

Usage Details

As part of the Blue Waters Undergraduate Internship Program, an undergraduate student will learn about the virtual screening portion of the drug discovery process. The student will learn to conduct a virtual screen of a target protein on Blue Waters using AutoDock Vina. The internship will allow the student to learn about HPC and the Blue Waters system and learn about the computational portion of the drug discovery process, as well as performance
comparisons.