Our Projection Superposition Approximation (PSA) method is publicly available in different ways:
– Access to public PSA webserver hosted at FSU (psa.chem.fsu.edu)
– Build your own private PSA web server (Bitbucket Docker)
– Download PSA binary & source for execution on a compute cluster
Selected publications:
- Bleiholder, C., Johnson, N. R., Contreras, S., Wyttenbach, T., & Bowers, M. T. (2015). Molecular Structures and Ion Mobility Cross Sections: Analysis of the Effects of He and N2 Buffer Gas. Analytical Chemistry 87, 7196-7203.
- Wyttenbach, T., Bleiholder, C., Anderson, S.E., & Bowers, M. T. (2015). A new algorithm to characterise the degree of concaveness of a molecular surface relevant in ion mobility spectrometry. Molecular Physics 113, 2344-2349.
- Bleiholder, C., Contreras, S., Do, T. D., & Bowers, M. T. (2013). A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections(II). Model parameterization and definition of empirical shape factors for proteins. International Journal of Mass Spectrometry 345-347, 89-96.
- Bleiholder, C., Contreras, S., & Bowers, M. T. (2013). A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections (IV). Application to polypeptides. International Journal of Mass Spectrometry 354-355, 275-280.
- Anderson, S. E., Bleiholder, C., Brocker, E. R., Stang, P. J., & Bowers, M. T. (2012). A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections (III). Application to Supramolecular Coordination-Driven Assemblies. International Journal of Mass Spectrometry 330-332, 78-84.
- Bleiholder, C., Wyttenbach, T., & Bowers, M. T. (2011).A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections (I). Method. International Journal of Mass Spectrometry 308, 1-10.