Global Analysis Software for Hydrodynamic and Thermodynamic Studies of Biological Macromolecules

University Of Texas Health Science Center San Antonio, San Antonio TX

Investigators

Abstract

Abstract The analysis of structure/function relationships of biological macromolecules and macromolecular assemblies in solution increasingly is becoming a center point of contemporary research in the biological sciences. Analytical ultracentrifugation and light scattering techniques have contributed significantly to research progress in this area. The proposed research focuses on the development of a comprehensive data analysis software package for these techniques. Data from light scattering, sedimentation velocity and equilibrium experiments under a range of operating conditions, e.g., different rotor speeds, column lengths and macromolecular concentrations, will be simultaneously fitted to global models in order to extract hydrodynamic and thermodynamic information from the system under investigation. By developing a means to concurrently analyze data from multiple experiments and run conditions generated by multiple techniques in a global fit, it is intended to significantly enhance resolution and accuracy by complementing the individual strengths of each method and run condition with the information provided by all others. Modern error analysis techniques will be implemented to evaluate the statistical significance of the fitted models and their associated parameters. The software will be optimized for a scalable parallel distributed Beowulf computer and an intuitive graphical user interface and comprehensive documentation will be developed, as well as an Internet-based SQL database interface to assist the user in the management of the large amounts of data involved in such a project and to facilitate the exchange of data between collaborators.