Weizmann Institute of Science Workshop

NMRbox is a cloud-accessible computational platform populated with 100+ software packages for computation and analysis in biomolecular NMR. This workshop provides an introduction to NMRbox, with an emphasis on nonuniform sampling (NUS) and non-Fourier methods used to process NUS data. Prominent investigators will highlight critical data processing workflows.  

[Workshop Flyer]

November 28-30, 2017

Weizmann Institute of Science, Rehovot, Israel

Day I, Tuesday November 28

Jeff Hoch, UConn Health [9-9:15am]
Introduction to NMRbox workshop

Adam Schuyler, UConn Health [9:15-10:15am]
Introduction to NMRbox Project

Adam Schuyler, UConn Health [10:15-11am]
Fundamentals of nonuniform sampling

Jeffrey Hoch, UConn Health [11:00am-12pm]
Introduction to spectral reconstruction methods

Adam Schuyler, UConn Health [1:00-1:45pm]
tutorial: nus-tool

Frank Delaglio, NIST [1:45-2:30pm] (via video link)
NUS Reconstruction with NMRPipe
tutorial: NMRPipe

Adam Schuyler, UConn Health [2:45-5pm]
Self-directed NUS reconstructions
tutorial: autonus / maxent

Day 2, Wednesday November 29

Darón Freedberg, FDA [9-9:45am]
NUS for NMR glycan structure determination

Wiktor Koźmiński, University of Warsaw [9:45-10:30am]
High dimensionality and high resolution NMR experiments for IDPs

Rina Rosenzweig, Weizmann [10:45-11:30am]
Applications of CEST and CPMG

Rina Rosenzweig, Weizmann [11:30am-12:00pm]
Data processing and analysis for relaxation studies

Adam Schuyler, UConn Health [1-2pm]
Self-directed NUS reconstructions
tutorial: NMRDraw

Mihajlo Novakovic, Weizmann [2-2:30pm]
High Resolution Indirect Detection of NMR Spectra on a Water Resonance

Bruce Johnson, CUNY [2:45-3:30pm] (via video link)
Introduction to NMRFx Processor
: NMRFx Processor

Michael Levitt, Stanford [3:30-4:30pm]
Simulating Functional Motion in Large Macromolecular Complexes

Day 3, Thursday November 30

Robert Tycko, NIDDK [9-10am]
Special Seminar: Biomolecular Solid State NMR and MRI with Dynamic Nuclear Polarization at Very Low Temperatures

Jeffrey Hoch, UConn Health [10:15-11:15am]
Error analysis and validation for non-Fourier methods

Hari Arthanari, Dana Farber [11:15-12:15am]
The Practical Limits of NUS in Biomolecular NMR and How to Break Them

Hari Arthanari, Dana Farber [1:15-2pm]
Harvard NUS workflows

Tatyana Polenova, Delaware [2-2:45pm]
MAS investigations of large macromolecular complexes

Tatyana Polenova, Delaware [3-3:45pm]
NUS applications to MAS and workflows

Group Exercises [3:45-5pm]

Jeff Hoch, UConn Health / NMRbox
Lucio Frydman, Weizmann Institute of Science
Adam Schuyler, UConn Health / NMRbox

Inbal Azoulay, Weizmann Institute of Science
Dikla Kislev, Weizmann Institute of Science
Reut Hershenhoren, Weizmann Institute of Science

The Chorafas Institute for Scientific Exchange