The workshop aims at favoring the discussion on methods that characterize structure and transport properties of bacterial protein channels involved in resistance against anti-infective. The importance of understanding their properties is clear, since new drugs are expected to overcome resistance processes that depend on fine protein-drug interactions. Within this framework simulations are fundamental both to investigate channel structure and as starting point for a bottom-up approach to drug design.
6 May
9.30 – 13.00
Opening: the experimental situation
R. Benz – University of Würzburg
H. Nikaido – University of Berkeley
O. Lomovskaya – Mpex Pharmaceuticals Inc.
+ 2 Contributed talk
14.30 – 18.00
From Structure to Function
B. Luisi – University of Cambridge
J. M. Pages - Universite de la Mediterranee
M. A. Seeger - University of Zurich
+ 2 Contributed talk
7 May
9.30 13.00
Role of Simulations and Free-energy methods
*B. Roux – The University of Chicago
*M. Klein – Penn University of Pennsylvania
H. Grubmüller – Max-Planck-Institute Göttingen
+ 2 Contributed Talk
14.30 – 18.00
C. Dellago – University of Vienna
C. Chipot – CNRS Nancy
M. Zacharias – Jacobs University Bremen
+ 2 Contributed Talk
8 May
9.30 – 13.00
Coarse grained simulations and bioinformatics
A. Giorgetti – University of Verona
M. A. Arzo - University of Castellon
D. Borgis – Ecole Normale Sup. CNRS Paris
+ 2 Contributed Talk
14.30 – 18.00
E. Tajkhorshid – University of Illinois
M. Cascella – University of Bern
D. Branduardi - Italian Institute of Technology
Closing
*to be confirmed