Natural Products


  • NMRFAM is developing a protocol for structural analysis of complex natural products to include Residual Dipolar Couplings (RDCs) in addition to NOE and the J-based analysis. For certain compounds, the use of only later two leads to more than one solution structure, and this ambiguity can be lifted if RDCs are added to the analysis.
  • Additionally residual chemical shift anisotropy (RCSA) has been explored as a complementary tool to the application of RDCs to the structural analysis of small molecules.
  • One bond CH RDCs can be used as constraints to generate more realistic structural models of natural products in force-field programs like XPLOR-NIH, since QM methods may fail to generate the conformations sampled in solution by large, complex systems. These models in turn can filtered by different sets of RDCs to deduce the correct configuration of dozens of chiral centers of these molecules.

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2017 NMRFAM Introductory Structure Determination Workshop (6/4-9, 2017), Madison WI

2017 NMRFAM ADVANCED Structure Refinement Workshop ( 8/6-9, 2017), Madison WI 

"The Future of NMR-Based Metabolomics, Current Opinion in Biotechnology (2017), pp. 34-40

Telluride School on Biomolecular Structure and Dynamics;Theory and Experiment (July 24-31, 2017) 

AMPERE NMR School (June 25th - July 1, 2017: Zakopane, Poland)

Documents on the use of the Bruker-Axs Nanostar,SAXS instrument and analysis of SAXS data are now available.

NMRFAM-SPARKY Distribution - the popular NMR analysis program SPARKY recompiled (including updated python and Tcl/Tk) with incorporation of PINE-Sparky, enhancements to import/export to the structural analysis program CYANA, and other useful python extensions.

ADAPT-NMR Enhancer: Complete Package for Reduced Dimensionality in Protein NMR Spectroscopy

RNA-PAIRS: RNA Probabilistic Assignment of Imino Resonance Shifts

PACSY, a Relational Database Management System for Protein Structure and Chemical Shift Analysis 

 

Donate to NMRFAM. US tax-deductible donation can be made to NMRFAM
Please write check payable to "UW Foundation, Account 112152802"  
And mail to: 
Attn: Sarah Lynn Traver Saunders
Associate Administrative Program Specialist 
University of Wisconsin-Madison 
433 Babcock Drive 
Madison, WI 53706 
Tel: 608-265-2507 or email 

 

1st: Lai Bergeman 
Rm 171; Phone 262-3173

2nd: Milo Westler
Rm B160; Phone 263-9599

3rd: Mark Anderson
Rm B224; Phone 265-3303

4th: Marco Tonelli
Rm B160; Phone 263-9493

5th: John Markley
Rm 171A; Phone 263-9349

We welcome your questions and feedback!

NMRFAM Established 1987