BICB Research Symposium
June 26, 2009
Leighton Auditorium
Mayo Clinic - Siebens Building
Rochester, Minnesota
Research Report #5:
Next-generation Petascale Computing Tools for Bioinformatics, Biocatalysis and Drug Discovery
Prof. Darrin M. York, University of Minnesota
Dr. Yuan-Ping Pang, Mayo Clinic
Dr. Carlos P. Sosa, IBM
Dr. Tai-Sung Lee, University of Minnesota
Prof. George Karypis, University of Minnesota
George Giambasu, University of Minnesota
Rashed Ferdous, U of M and IBM
Abstract
We present an overview of our current efforts to create the next-generation computational tools for bioinformatics, biocatalysis and drug discovery. This is a strategic plan to develop radically new application software and cyber-infrastructure that enables collaborative
research in a virtual problem-solving environment. At the core of this problem-solving environment will be novel high-performance modeling software poised to take advantage of emergent petascale computing facilities, the results of which feed into a network of linked databases for drug discovery and bioinformatics. As one of the examples we demonstrate that by scaling an application such as BLAST and HMMER, we show that such scalability enables us to complete a large-scale bioinformatics problem-sequence searching a microbial genome database against itself to support the discovery of missing genes in genomes in only a few hours on Blue Gene/P. Previously, this problem was viewed as computationally intractable in practice. Similarly molecular docking applications can take advantage of petascale systems. Finally we show an example on RNA catalysis.
Back to Agenda
|
