The workshop will be held in Florence, Italy on May 4-6, 2009
A report on the workshop is available here.
The aim of this series of workshops is to assess the state-of-the art in computational aspects of bio-NMR and possibly contribute to software, protocols and data storage standards. This goal is tackled by inviting software developers to compare the performance of their protocols on a common ensemble of data sets, which are provided by the eNMR partnership.
The first workshop will be focused on automated protein structure calculations methods. In particular, we will address two broad categories of protocols:
- those relying on "traditional" NOE data
- those relying on chemical shifts alone
The laboratories that accepted to participate are (identified by the name of their P.I.):
- Peter Guentert
- Torsten Herrmann
- Gaetano Montelione
- Michael Nilges
- Michele Vendruscolo
Geerten Vuister will be involved in the validation of the structures generated.
A detailed program will be available here
The data sets can be downloaded as entire CCPN projects from the links below:
Apo-TTHA (cis form of Pro14)
Apo-TTHA (trans form of Pro14)
Copper-TTHA (cis form of Pro14; a copper(I) ion is bound to the side chains of H46, M61, H83, M85)
Copper-TTHA (trans form of Pro14; a copper(I) ion is bound to the side chains of H46, M61, H83, M85)
Mia40 (contains the following disulfide-bridges: 68-101 and 78-91)
Parvulustat (contains the following disulfide-bridges: 9-25 and 43-70)