Characterizing and inferring protein dynamics is possible using bioinformatics software on the web, but large-scale analyses require installing and running this software on HPC. This session, presented by Darren Thifault, will introduce a series of software that are commonly used in protein analysis, I-TASSER (protein structure/function prediction), ClusPro (FFT based Docking), HADDOCK (Simulation based Docking), and give a brief overview of how these can be used on the HPC.
This is a series of interactive seminars sponsored by the Research Computing Faculty Working Group. The seminars are intended to provide student and faculty researchers hands-on exposure to the research computing resources available at ASU and to provide an opportunity for discussion, troubleshooting, and information sharing. These seminars will range from the introduction to high performance computing and basic programming, to discipline-specific workshops.
This interactive workshop will begin with a lecture (10–11 a.m.) and will be followed by hands-on practice (11 a.m.–noon). A member of the Research Computing training subgroup will be present at each seminar to facilitate discussion.