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|Alternative name||Protein structure And Chemical Shift NMR spectroscopy|
|Restrictions to use||None|
Publication for Protein structure And Chemical Shift NMR spectroscopy
PINE SPARKY.2 for automated NMR based protein structure research
[…] ; (iii) visualize PINE probabilities for spin system assignments (); (iv) visualize chemical shift referencing analysis by the LACS algorithm ();(v) visualize hydrophobic core residues predicted from PACSY database (; ); (vi) visualize RCI S2 (random coil index order parameter; ); and/or (vii) generate PINE probabilistic labels and accept the most probable ones with P > 0.5 (). Then the Completene […]
The AUDANA algorithm for automated protein 3D structure determination from NMR NOE data
[…] ds upper limits with elastic settings. By default, calculations are run on the NMRFAM-hosted Ponderosa Server. Users can run the software on their own hardware by installing the Ponderosa Server, the PACSY database, and the PACSY PDBSEQ_DB table expansion as described in Supplementary Table S1. AUDANA also can be launched directly from NMRFAM-SPARKY (Lee et al. ) by invoking “Calculation of 3D str […]
Integrative NMR for biomolecular research
[…] erosa Server, and the NOESY peak picking and data transfer program on the client side, Ponderosa Client, are written in C++ with QT libraries (http://www.qt.io). We developed an interface between the PACSY database and Ponderosa Server to support the AUDANA algorithm (Automated Database-Assisted NOESY Assignment) for automated structure calculation (Lee et al., submitted) and the PACSY-ALIGN algor […]
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