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Check the NMRFAM newsletter and our Workshop link for information about future workshops.
If you have any questions, please contact Anne Lynn Gillian-Daniel by e-mail (gillian@nmrfam.wisc.edu) or phone 608-262-3173.
Program The first NMRFAM workshop ran from noon June 6 through noon June 9, 2006 in the Biochemistry Department at the University of Wisconsin–Madison. The program included lectures, hands-on sessions and discussions.
Purpose This workshop offered a unique opportunity for participants to experience a combination of hands-on computational sessions, presentations, and discussions focusing on recently developed tools as well as emerging methods in NMR data analysis.
The goals of this three-day workshop were to:
1. provide a practical, hands-on introduction to some of the recently developed methods in the field of NMR data analysis.
2. present emerging methods and tools, and solicit discussions for complimentary merging of new and emerging tools.
3. discuss the needs for future platforms and requirements for high-throughput, automated structure determination and analysis using NMR.
Scope The workshop focused on the necessary steps and methods for NMR data collection and analysis. This included: a) considerations for the experimental strategy, b) collection of multiple data sets (as needed), c) analysis of data for consistency and sufficiency, and d) preparation of data for downstream structure determination and analysis. Discussions about structure determination were included only to the extent that they impact data collection and analysis approaches.
Participants in this course were expected to have prior familiarity with the basic steps of NMR structure determination. The workshop was self-contained, with each session starting with the fundamentals and proceeding to more advanced topics, including recent theoretical developments, data analysis techniques, and specific applications.
Speakers
Clemens Anklin
Lecture: Rapid Acquisition Techniques
Hands-on materials:
bruker-program.tar
nmrfam-bruker-data.tar.gz
Gabriel Cornilescu
Lecture: Risidual dipolar coupling technology
Hands-on examples:
Typical automatic assignment mapping for extracting isotropic (J) and residual dipolar (D) couplings from the sum and difference of in-phase/anti-phase (IPAP) spectra using a previously assigned 2D H-N HSQC
2D J-Modulated Spectral Series (e.g. for CAHA RDCs)
3D Quantitative J Expt. (e.g. for NC' RDCs)
Hamid R. Eghbalnia
Lecture: Adaptive Probabilistic Approach: Applications to Rapid and Robust NMR Structure Determination
Peter Guntert
Lecture and Practicals: Breaking Efficiency and Size Barriers in NMR
Protein Structure Analysis and Automated Structure Calculation with CYANA
Torsten Herrmann
Lecture and Practicals: Fully automated Protein NMR structure determination using the software MATCH, ASCAN, ATNOS and CANDID.
Tim Stevens
The CCPN Project
Thomas Szyperski
Lecture: G-matrix Fourier Transform (GFT) Projection NMR Spectroscopy
Marco Tonelli
Lectures: HIFI NMR parts 1 and 2
Hands-on
Sponsors NMRFAM gratefully acknowledge the financial support provided by the following: Bruker Biospin, Isotec, Varian Inc.
The NMRFAM Protein Structure Determination Workshop will be June 3-8, 2007
MMCD – Madison Metabolomics Consortium Database – a freely-available database containing information about small chemical compounds of biological interest.
New instructions for Remote Users are now available.
The new PINE server incorporates PISTACHIO (assignments), LACS (checking of carbon-13 chemical shift referencing and possible outliers), and PECAN (secondary structure determination) to yield results consistent with all three.
