NMRbox Summer Workshop 2018

Syllabus

The first day of this workshop is an introduction to NMRbox and a compressed short-course on nonuniform sampling and spectral reconstruction. We are honored to include guest presentations for the remaining 3 days of the workshop. Alexandre Bonvin (University of Utrecht) will present a full-day workshop on HADDOCK molecular docking. Art Palmer (Columbia University), Ann McDermott (Columbia University), Shibani Bhattacharya (NYSBC), and Bruce Johnson (CUNY) will present a 2-day workshop on NMR relaxation workflows.

All content posted here is for individual use only and may not be distributed in any form without permission from the author.

Day 1 [Mon 6/11/18]
NMRbox and Nonuniform Sampling

Introduction to NMRbox workshop [9:00-9:15am]
Jeff Hoch, UConn Health / NMRbox
PowerPoint | PDFstream

Introduction to NMRbox VM [9:15-10:00am]
Adam Schuyler, UConn Health / NMRbox
Keynote | PDF | stream

COFFEE [10-10:30am]

Spectral processing and analysis in NMRPipe [10:30am-12pm]
Frank Delaglio, NIST / NMRbox
software: NMRPipe
PowerPoint | PDF | stream

LUNCH [12-1pm]

Fundamentals of nonuniform sampling [1-1:45pm]
Adam Schuyler, UConn Health / NMRbox
Keynote | PDF | stream

Introduction to spectral reconstruction methods [1:45-2:15pm] 

Jeffrey Hoch, UConn Health / NMRbox
KeynotePDFstream

COFFEE [2:15-2:30pm]

Sample schedule generation [2:30-2:50pm]
Adam Schuyler, UConn Health / NMRbox 
software: nus-tool
PDF | stream

Hands-on spectral processing session [2:50-5pm]
Mark Maciejewski, UConn Health / NMRbox
software: MaxEnt, IST, SMILE
PowerPoint | PDF

Day 2 [Tue 6/12/18]
Modelling of Biomolecular Interactions with HADDOCK

All slides from this day are in the combined PDF.

Information-driven docking with HADDOCK, Part I [9-10:30am]
Alexandre Bonvin, Utrecht University

COFFEE [10:30-11am]

Information-driven docking with HADDOCK, Part II [11am-12pm]
Alexandre Bonvin, Utrecht University

LUNCH [12-1pm]

Basic protein-protein docking with HADDOCK [1-2:45pm]
Alexandre Bonvin, Utrecht University
tutorial: HADDOCK

COFFEE [2:45-3pm]

Visualizing the information content of distance restraints with DisVis and best use in HADDOCK [3-5pm]
Alexandre Bonvin, Utrecht University
tutorial: DisVis, HADDOCK

Day 3 [Wed 6/13/18]
NMR Relaxation Workflows

Lecture: Overview of relaxation theory [9-10:30am]
Art Palmer, Columbia University
PDF | stream

COFFEE [10:30-11am]

Practical: Experimental Design [11am-12pm]
Shibani Bhattacharya, NYSBC
PDF available inside NMRbox at: /tutorial/workshops/2018-NMRbox

LUNCH [12-1pm]

Tutorial: Relaxation data analysis [1-3pm]
Bruce Johnson, CUNY

COFFEE [3-3:30pm]

Tutorial: Spectral density mapping and model-free analysis [3:30-5pm]
Art Palmer, Columbia University
stream

Day 4 [Thu 6/14/18]
NMR Relaxation Workflows

Lecture: SSNMR and simulations [9-10:30am]
Ann McDermott, Columbia University

COFFEE [10:30-11am]

Lecture: Chemical exchange [11-11:55am]
Art Palmer, Columbia University
PDF | stream

MBB Seminar [12-1pm]
Christina Redfield, University of Oxford
Low Learning Center
stream

Tutorial: Analysis of relaxation dispersion and CEST [1-2:30pm]
Bruce Johnson, CUNY

COFFEE [2:30-3pm]

Workshop: Hands-on session with participants’ own data or provided sample data [3-5pm]