The Gordon Research Seminar on Computational Aspects - Biomolecular NMR is a unique forum for graduate students, post-docs, and other scientists with comparable levels of experience and education to present and exchange new data and cutting edge ideas.
The focus of this meeting is to discuss new contributions in computational Nuclear Magnetic Resonance to the growing field of metabolomics and applications of computationally intensive metabolomic NMR in systems biology, microbiology, toxicology, genomics, and medicine. Topics of interest will include, but are not limited to: processing and statistical analysis of complex mixture NMR spectra, identification of biomarkers in spectra using techniques including database search and simulation, and monitoring metabolic pathways by isotope labeling and hyperpolarization, computational metabolic pathway analysis and kinetic modeling, and applications of these in NMR metabolomics.
This GRS was held in conjunction with the "Computational Aspects - Biomolecular NMR" Gordon Research Conference (GRC)
. Refer to the associated GRC program page
for more information.
Seed funding for this new Gordon Research Seminar has been provided by Merck Research Laboratories.
|1:00 pm - 5:00 pm||Arrival and Check-in|
|3:30 pm - 3:45 pm||Introductory Comments by GRC Site Staff / Welcome by the GRS Conference Chair|
|3:45 pm - 4:30 pm||The Future of NMR in Metabolomics Research|
|Discussion Leaders: Silvia Mari (R4R - Research For Rent) and Ian Lewis (Princeton University)
|3:45 pm - 4:15 pm||David Wishart (University of Alberta)|
|4:15 pm - 4:30 pm||Discussion|
|4:30 pm - 6:00 pm||Poster Session I|
|7:30 pm - 9:30 pm||Biomedical applications of computational NMR|
|Discussion Leaders: David Wishart (University of Alberta) and Benjamin Blaise (Hospices Civils De Lyon)
|7:30 pm - 7:50 pm||Hesam Dashti (NMRFAM-University of Wisconsin)
"Metabolomics Analyses of non-diabetic Women with Polycystic Ovary Syndrome"
|7:50 pm - 8:00 pm||Discussion|
|8:00 pm - 8:20 pm||Brigitte Fiege (University of Basel)
"Design of Entry Inhibitors against Human Noroviruses"
|8:20 pm - 8:30 pm||Discussion|
|8:30 pm - 8:50 pm||Brittany Lee-McMullen (University of Florida)
"Metabolic Profile of Mdx Mice using Global Metabolomics in Search of a Biomarker for DMD"
|8:50 pm - 9:00 pm||Discussion|
|9:00 pm - 9:20 pm||Timothy Ragan (National Institute for Medical Research, UK)
"An easy-to-use modular system for the generation and analysis of non-uniform sampling schedules for nD NMR"
|9:20 pm - 9:30 pm||Discussion|
|7:30 am - 8:30 am||Breakfast|
|9:00 am - 11:00 am||Computational methods in Metabolomic and Biomolecular NMR|
|Discussion Leader: John Markley (University of Wisconsin-Madison)|
|9:00 am - 9:20 am||Ian Lewis (Princeton University)
"Open-source computational tools for identifying metabolites in complex multidimensional NMR spectra"
|9:20 am - 9:30 am||Discussion|
|9:30 am - 9:50 am||Benjamin Blaise (Hospices Civils De Lyon)
"Connecting NMR spectra to metabolic biomarkers and networks"
|9:50 am - 10:00 am||Discussion|
|10:00 am - 10:20 am||Caroline Sands (Imperial College London)
"Statistical Total Correlation Spectroscopy Editing of 1H NMR Spectra of Biofluids: Application to Drug Metabolite Profile Identification and Enhanced Information Recovery"
|10:20 am - 10:30 am||Discussion|
|10:30 am - 10:50 am||Lawrence Clos (NMRFAM)
"NMRbot and Newton Offer Improvements in the Automation of NMR Data Acquisition and Analysis"
|10:50 am - 11:00 am||Discussion|
|11:00 am - 12:30 pm||Poster Session II|
|Coffee will be served in the poster area from 11:00 am - 11:30 am|
|1:30 pm - 2:30 pm||Computational NMR in Structural Biology|
|Discussion Leader: Valerie Copie (Montana State University)
|1:30 pm - 1:50 pm||Alessandro Rizzo (NMRFAM)
"NMR structure of bacteriophage P22's telokin-like domain highlights limitations of cryo-EM reconstructions"
|1:50 pm - 2:00 pm||Discussion|
|2:00 pm - 2:20 pm||Matthew Fenwick (University of Connecticut)
"Recent Developments of the CONNJUR Software Suite"
|2:20 pm - 2:30 pm||Discussion|
|2:30 pm - 3:00 pm||Evaluation Period|
|Fill out GRS Evaluation Forms|
|3:00 pm||Gordon Research Seminar ends. For those attending the associated Gordon Research Conference, please check in at the GRC Office beginning at 4:00 pm.|