title: NvMap: automated analysis of NMR chemical shift perturbation data.
abstract: NMR chemical shift perturbation experiments are widely used to define binding sites in biomolecular complexes. Especially in the case of high throughput screening of ligands, rapid analysis of NMR spectra is essential. NvMap extends NMRViewJ and provides a means for rapid assignments and book-keeping of NMR titration spectra. Our module offers options to analyze multiple titration spectra both separately and sequentially, where the sequential spectra are analyzed either two at a time or all simultaneously. The first option is suitable for slow or intermediate exchange rates between free and bound proteins. The latter option is particularly useful for fast exchange situations and can compensate for the lack of indicators for overlapped peaks. Our module also provides a simple user interface to automate the analysis process from dataset to peak list. We demonstrate the effectiveness of our program using NMR spectra of SUMO in complexes with three different peptides.
  
  
  BACKGROUND
  NvMap is available on the web at http://www.cityofhope.org/Researchers/ChenYuan/NvMap/ Supplemental information: Manual pages and test spectra will be available on the web at the above site.
authors.affiliation: Division of Immunology, Beckman Research Institute of the City of Hope, 1450 East Duarte Road, Duarte, CA 91010, USA.
authors.forename: Lisa
authors.initials: L
authors.lastname: Fukui
authors.forename: Yuan
authors.initials: Y
authors.lastname: Chen
mesh_terms: D000465:Algorithms; D001665:Binding Sites; D001704:Biopolymers / Q000032:analysis* / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D025941:Protein Interaction Mapping / Q000379:methods*; D012984:Software; D014584:User-Computer Interface
chemical_list: D001704:Biopolymers