Parallel and Distributed Computing in Structural Biology

By Dan C. Marinescu (Computer Science Department, University of Central Florida, USA)
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Outline:

1. Introduction to 3D Atomic Structure Determination
   1. Protein Structure.
   2. Secondary, Tertiary, and Quaternary Structures.
   3. X-ray diffraction.
   4. Electron Microscopy.
2. Three-Dimensional Reconstruction of Icosahedral Viruses from Cryo Transmission Electron Microscopy, Cryo TEM.
   1. Virus Particle Identification from Micrographs.
   2. Orientation Determination
   3. 3D Reconstrunction
   4. Ab initio Reconstruction of Virus Structures.
3. Three-Dimensional Reconstruction of Asymmetric Structures from Cryo Transmission Electron Microscopy, Cryo TEM.
   1. Virus Particle Identification from Micrographs.
   2. Orientation Determination
   3. 3D Reconstrunction
4. Open Systems and Information Grids
   1. Resource Management, Discovery, and Virtualization in an Open System
   2. Physical and Virtual Mobility
   3. Service Coordination in Service Grids
   4. Computational Grids and Metacomputing
5. Process Coordination and Software Agents
   1. Coordination and Autonomy
   2. Coordination Models
   3. Coordination Techniques
      1. Coordination based upon Scripting Languages
      2. Coordination based Shared Data Spaces
      3. Coordination based upon Middle
   4. Software Agents
   5. Agent Communication
6. A Virtual Laboratory for Computational Structural Biology