2004 - Speakers and Programme
Title: Computational aspects of Biomolecular NMR Spectroscopy
4th CCPN meeting 2004
16th - 18th August 2004,
St Martin's College, Ambleside, The Lake District
Speakers:
Mike Williamson University of Sheffield
Aalt-Jan van Dijk Utrecht University, The Netherlands
Michele Vendruscolo University of Cambridge
Wolfgang Rieping Institut Pasteur, Paris, France
Michael Habeck Institut Pasteur, Paris, France
Geerten Vuister University of Nijmegen, The Netherlands
Robert Konrat University of Vienna, Austria
Jeffrey Hoch University of Connecticut Health Centre, USA
Martin Billeter Göteborg University, Sweden
Wim Vranken EBI, Hinxton, Cambridge
Vladislav Orekhov Göteborg University, Sweden
Rasmus Fogh University of Cambridge
Wayne Boucher University of Cambridge
Tim Stevens University of Cambridge
Ulrich Günther University of Birmingham
Monday 16 August 2004
12.00 Check-in at Reception
12.30 Registration & Lunch
13.45 Meeting Starts
13.50 Ernest Laue Welcome and Introduction
Structure determination and validation (Chair - Brian Smith)
14.00 Mike Williamson “Introduction to structure generation & validation”
14.30 Aalt-Jan van Dijk “Docking – Haddock”
15.00 Mike Williamson “Structure refinement using chemical shifts”
15.30 Tea
16.00 Wayne Boucher/Tim Stevens “The CCPN software suite”
16.30 Discussion
17.45 Poster session Drinks kindly provided by Spectra Stable Isotopes
19.15 Supper
Tuesday 17 August
8.00 Breakfast
9.00 Meeting starts
Structure determination and validation (Cont.) (Chair – Christina Redfield)
9.15 Michele Vendruscolo “Structure determination using limited data:
Application to protein folding intermediates”
9.45 Wolfgang Rieping/ Michael Habeck “New approaches”
10.15 Robert Konrat “Automatic assignment/structure determination”
10.45 Coffee
11.15 Geerten Vuister “The Queen program”
11.45 Discussion
13.00 Lunch
14.30 WALK
17.45 Poster Session
19.15 Conference Dinner Poster Prize presentation
Wednesday 18 August
8.00 Breakfast (to 9.00) Check-out of room (luggage room available)
9.00 Meeting starts
Data processing and analysis (Chair – Chun-wa Chung)
9.15 Jeffrey Hoch “Introduction, incl. non-FT based processing
(such as FDM, MaxEntropy etc.)”
9.45 Martin Billeter "Applications of automated spectrum analysis"
10.15 Wim Vranken “Application of new Bayesian methods for spectrum analysis”
10.45 Coffee
11.15 Vladislav Orekhov “Optimizing Resolution & Sensitivity in Multidimensional NMR:
Multidimensional Decomposition (MDD) of Non-Linearly
Sampled Spectra"
11.45 Ulrich Günther “Automated peak picking using wavelet de-noised spectra in
automated structure determination”
12.15 Discussion
13.30 Lunch
14.30 Possible Walk