This XSEDE portal provides access to the high performance computing back-end of UltraScan (http://www.ultrascan.aucsolutions.com) which is used to analyze analytical ultracentrifugation experiments by high-resolution methods. Users can request an individual database to analyze sedimentation velocity data from their instruments. Training workshop and seminars are available on a continuing basis. Contact borries.demeler@umontana.edu for more information. The objective of the research addressed by this portal is the hydrodynamic study of biological macromolecules and synthetic polymers by high-resolution modeling of analytical ultracentrifugation (AUC) experiments. Such experiments provide insight into the properties of biological macromolecules, and permit the investigation of structure-function relationships of biological systems implicated in many diseases, including cancer, viral infections, neurodegenerative diseases such as Parkinsons and Alzheimers, diabetes, and many others. Biological macromolecules with medical relevance as well as nanoparticles, polymers and colloids can be analyzed using novel high-resolution analysis methods that rely on high-performance computing. Our research group has implemented a web-based front end to this science gateway to provide the necessary computational infrastructure for data analysis. This portal also functions to provide users of the UltraScan data analysis software access to XSEDE resources. UltraScan is a package for the analysis of analytical ultracentrifugation experiments (http://www.ultrascan.aucsolutions.com) using high-performance computational resources from XSEDE to support high-resolution analysis of experimental data. Among others, users can fit their experiments using a 2-dimensional spectrum analysis, genetic algorithm optimization, and Monte Carlo analysis to obtain superior detail and also to process systematic noise components in the data. The XSEDE portal functions in conjunction with the UltraScan software and the UltraScan Laboratory Information Management System (USLIMS) by AUC Solutions. The USLIMS uses a MySQL database with storage resources where users can store their experimental data and ancillary data required for analysis.

Researchers should cite this work as follows:

• (2024), "High-Resolution Modeling of Hydrodynamic Experiments with UltraScan," https://sciencegateways.org/resources/high-resolutionmodelingofhydrodynamicexperimentswithultrascan.

  BibTex | EndNote

1. AUC
2. UltraScan
3. USLIMS