Showing 5 open source projects for "structural analysis software"

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  • 1
    AuroreNR
    Software developed for the analysis of Neutron Reflectivity data.
    Downloads: 2 This Week
    Last Update:
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  • 2

    MS2Browser

    LC-MS/MS data browser designed for siderophore analysis

    MS2Browser is a tool for interactive pre-processing, analysis and visualization of LC-MS/MS data. Input is an mzXML file with centroided LC-MS/MS data. The program is written in MatLab and it was designed for the analysis of siderophores (iron transporting small molecules) in bacterial media. Some of the functionality and use of MS2Browser is described as part as an open-access book chapter: http://www.intechopen.com/books/applications-from-engineering-with-matlab-concepts/small-molecule-lc-ms-ms-fragmentation-data-analysis-and-application-to-siderophore-identification A siderophore structural database assembled for this project can be found alongside the MS2Browser software (.cfw format to be used with ChemBioFinder(TM) ). ...
    Downloads: 0 This Week
    Last Update:
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  • 3
    ChelomEx

    ChelomEx

    Isotope assisted discovery of metal chelating agents from LC-MS data

    ...A built-in graphical user interface and compound library aid in the efficient evaluation of the results. If you use ChelomEx for your research, please cite our Analytical Chemistry paper that describes the software (http://dx.doi.org/10.1021/ac503000e). To comment, send bug reports or suggestions for additional features to be implemented in future versions please send me a message. The current version ChelomEx 1.2 from 06 January 2016 includes the following changes to the original version (ChelomEx 1.0): - function to filter discovered isotope patterns after the first analysis step (isotope pattern search), accessible in the Isotope Pattern toolbar (v1.2) - updates for compatibility with MatLab versions after 2014b (v1.2) - siderophore database update (v1.1) - can now also analyze negative mode data (v1.1) - bug fixes (v1.1)
    Downloads: 2 This Week
    Last Update:
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  • 4

    QUDeX-MS

    Hydrogen/deuterium exchange estimation for isotopic fine structure MS

    Hydrogen-deuterium exchange coupled to mass spectrometry permits analysis of structural dynamics, stability, and molecular interactions of proteins. Resolving isotopic fine structure during mass spectrometry has been recently demonstrated to allow direct detection and quantification of deuterium incorporation distinct from peaks corresponding to non-deuterium incorporated natural abundance heavy isotopomers.
    Downloads: 0 This Week
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  • 5
    This is a Matlab software package for single molecule FRET data analysis.
    Downloads: 1 This Week
    Last Update:
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