This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. We have identified 45 Ca-like binding sites on the AChR in membranes using Tb as a probe of those sites in anomalous X-ray scattering experiments. We have a 1-dimensional map of the location of these ions, and the Unwin 3-D model of the AChR, which we wish to begin our mapping of the 3-D localization of these ion binding sites using the teragrid facility. We have embedded the AChR in 510 lipids and an excess of water molecules to fill the volume. We would like to use gromacs to equilibrate this system. We envision using larger simulations with more molecules in the future, and therefore, want to explore the capabilities of Teragrid in order to determine the performance and scaling behavior on different machines.

Agency
National Institute of Health (NIH)
Institute
National Center for Research Resources (NCRR)
Type
Biotechnology Resource Grants (P41)
Project #
5P41RR006009-19
Application #
7956223
Study Section
Special Emphasis Panel (ZRG1-BCMB-Q (40))
Project Start
2009-08-01
Project End
2010-07-31
Budget Start
2009-08-01
Budget End
2010-07-31
Support Year
19
Fiscal Year
2009
Total Cost
$771
Indirect Cost
Name
Carnegie-Mellon University
Department
Biostatistics & Other Math Sci
Type
Schools of Arts and Sciences
DUNS #
052184116
City
Pittsburgh
State
PA
Country
United States
Zip Code
15213
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