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TG-MCB160027.yaml
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TG-MCB160027.yaml
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Department: Department of Computational Medicine and Bioinformatics
Description: Knowledge of 3D protein structures is paramount towards our understanding
of biochemistry. Currently, there are many more known protein sequences than 3D
protein structures and experimentally determining their structure can be both expensive
and time consuming. Therefore, extensive efforts have been made to model these structures
using computational methods. Our group has developed the I-TASSER method, which
constructs protein structure models by iteratively assembling structure fragments
obtained by multiple threading algorithms. The method was stringently tested in
the community-wide CASP experiments and has been widely used by the community, including
more than 65,000 registered scientists from 122 countries. Despite its success,
a major obstacle in the optimization of I-TASSER involves a dearth of computational
resources available for use. We have access to a computing cluster composed of 1,100
cores. However, I-TASSER has seen a surge in users on our web server, and as a result,
there have been over 2,000 jobs waiting or running at any one time, far exceeding
our current capacity. Therefore, an increase in computational resources for our
research interests would greatly benefit the further optimization of the I-TASSER
method, as well as the biological and medical community as a whole. Over the course
of this allocation, we expect to run approximately 400 I-TASSER jobs; each of these
jobs would take 500 CPU hours, thus we would require roughly 200,000 CPU hours total.
This will be of critical importance for the improvement of the I-TASSER methods
and enhance its capacity to serve for the general biological community.
FieldOfScience: Molecular and Structural Biosciences
ID: '337'
Organization: University of Michigan
PIName: Yang Zhang
Sponsor:
CampusGrid:
Name: OSG-XSEDE