Accession Number : ADA523932


Title :   A Web-Accessible Protein Structure Prediction Pipeline


Descriptive Note : Conference paper


Corporate Author : ARMY MEDICAL RESEARCH AND MATERIEL COMMAND FORT DETRICK MD TELEMEDICINE AND ADVANCED TECH RESEARCH CENTER


Personal Author(s) : Lee, Michael S ; Bondugula, Rajkumar ; Desai, Valmik ; Zavaljevski, Nela ; Yeh, In-Chul ; Wallqvist, Anders ; Reifman, Jaques


Full Text : http://www.dtic.mil/dtic/tr/fulltext/u2/a523932.pdf


Report Date : Jun 2009


Pagination or Media Count : 8


Abstract : Proteins are the molecular basis of nearly all structural, catalytic, sensory, and regulatory functions in living organisms. The biological function of a protein is inextricably linked to its three-dimensional (3D) atomic structure. Traditional structure determination methods, such as X-ray and nuclear magnetic resonance techniques, are time-consuming, expensive, and infeasible for the millions of proteins that have been sequenced so far from various organisms. Alternatively computational structure prediction methods provide a faster and more cost-effective, albeit approximate alternative to experimental structure determination. We present a high-throughput protein structure prediction pipeline (dubbed PSPP), which given input protein sequences infers their 3D atomic structures. The pipeline was designed to be used with high performance computing clusters and to scale with the number of processors. The pipeline encompasses a core Perl module, a parallel job manager, and a Web browser graphical user interface accessible at our Website. The software is currently installed at the Department of Defense (DoD) Maui High Performance Computing Center, and it is available for download along with its associated databases from our site. Currently, DoD scientists are using the pipeline in basic science and drug and vaccine development projects.


Descriptors :   *ATOMIC STRUCTURE , *PROTEINS , *PREDICTIONS , MEDICAL RESEARCH , COMPUTATIONS , SYMPOSIA , COMPUTER PROGRAMS , ARMY RESEARCH


Subject Categories : Biochemistry
      Genetic Engineering and Molecular Biology
      Computer Programming and Software
      Test Facilities, Equipment and Methods


Distribution Statement : APPROVED FOR PUBLIC RELEASE