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[SA_scat] A Workshop "Computational aspects of the joint use ofSAXS and NMR" in Florence

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  • Subject: [SA_scat] A Workshop "Computational aspects of the joint use ofSAXS and NMR" in Florence
  • From: "Dmitri Svergun" <svergun@embl-hamburg.de>
  • Date: Wed, 23 Mar 2011 19:29:42 +0100
Computational aspects of the joint use of SAXS and NMR
                    A WeNMR Workshop

Workshop Web page:
Date and time:   May, 27th, 2011, 11:30 - 19:00
Location:     CERM Conference Room,
             Centro di Risonanze Magnetiche -
             Università di Firenze, Via L. Sacconi 6
             50019 Sesto Fiorentino, ITALIA
Scope of the workshop:
We shall discuss the ways of integrating SAXS and NMR in
the daily routine of structural biologists and define the
computational needs for the broader integration. Emphasis is
put to the methodological developments and to the advanced
computational tools including grid computing and remote experiments.

The number of external participants of the Workshop is limited to 25.
Registration page:
The registration is on the first come, first serve basis. 

Registration fee: 60 Euro (includes Workshop materials, lunch and
The registration fee is to be paid at the Workshop on-site.

Registration deadline: May, 15th, 2011 
Organisers: Alexandre Bonvin (Utrecht University)
            Geerten W. Vuister (Radboud University Nijmegen)
            Antonio Rosato  (CERM, Florence)
            Claudio Luchinat (CERM, Florence)
            Daniel Franke (EMBL, Hamburg)
            Dmitri Svergun  (EMBL, Hamburg)
Contact:    Daniel Franke  (svergun@embl-hamburg.de) 
            Dmitri Svergun  (svergun@embl-hamburg.de)

Local information:  Antonio Rosato (rosato@cerm.unifi.it)
             Scientific Program
11:00 - 11:30  Registration
Section 1 Complementatiry of (We)NMR and SAXS, Chair: A.Rosato
11:30 Alexandre Bonvin (Utrecht University)
"WeNMR: the tale of a virtual research community in structural biology"
12:00 Dmitri Svergun  (EMBL, Hamburg)
"The use of NMR-SAXS complementarity in ATSAS"
12:30 Javier Perez (SOLEIL, Paris)
"Dadimodo : a software designed to refine multimodular protein
structures against SAXS and possibly NMR-RDC experimental data"
13:00 - 14:00  Lunch
Section 2 Grid computing for SAXS/NMR, Chair: D.Svergun
14:00 Antonio Rosato  (CERM, Florence)
"The main concepts of grid computing for NMR and SAXS".
14:30 Daniel Franke (EMBL, Hamburg)
"Enabling SAXS for the NMR Community: Grid Tools for SAXS and Remote
Instrument Access"
15:00 Claudio Luchinat (CERM, Florence)
"Maximum occurrence of conformations with an integrated SAXS-paramagnetic
NMR approach"
15:30 - 16:00 Coffee break
Section 3 Joint SAXS/NMR applications, Chair: C.Luchinat
16:00 Michael Sattler (Technische Universität München)
"Combining NMR and small-angle scattering for structural analysis
of protein complexes in solution"
16:30 Pau Bernado (Institute for Research in Biomedicine, Barcelona)
"A more Complete Picture of Protein Dynamics from the combined use
of NMR and SAXS"
17:00 Jan Skov Pedersen*, Manja Annette Behrens, Christian Moestrup Jessen,
Antonello Calcutta, Daniel E. Otzen, M. Lourdes Renard, José M. 
Gonzáles-Ros, Anders Malmendal, and Niels Chr. Nielsen (University of
"Unfolding States of an Integral Membrane Protein by NMR,
light scattering and SAXS: TFE-induced Disintegration of Surfactant-KcsA
17:30 TBA
18:00 - 19:00   Round-table discussion, “Present state and future
directions”, Chair: A.Bonvin

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