|
Workshop
program
Session 1:
Presentation and analysis of the possible types of deformations which can
be expected to occur within macromolecules during their association. Analysis
of the impact of such deformations on the results of the CAPRI Contest;
examples where conformational changes have or have not impeded good prediction.
Session 2:
How flexibility is accounted for in the present docking methods :
- implicitly or explicitly
- at the level of side-chains, loops or domain
- at the refinement stage or during the docking process
Session 3: Possible
methods that can be used to treat protein flexibility at different levels
: local or global, full-atom or reduced representation, harmonic or anharmonic
movements; experience accumulated in neighboring fields, small ligand docking
or protein folding.
Wednesday
28th April
| 8.45 - 9.00 |
Welcome and practical
information |
|
| 9.00 - 9.20 |
Chantal
Prévost
Presentation of
the workshop: principal issues and objectives |
|
| 9.20 - 9.55 |
Joël
Janin
Conformation changes
and specificity of protein-protein interaction |
Abstract
|
| 9.55- 10.30 |
Shoshana
Wodak
Possible types of
protein deformations and summary of some of the
CAPRI results with
focus on the influence of conformational changes. |
Abstract
|
| 10.30 - 11.00 |
Coffee break |
|
| 11.00 - 11.35 |
Miriam
Eisenstein
Analysis of the
impact of deformations on the results of the CAPRI contest |
Abstract
|
| 11.35 - 12.10 |
Carlos
J. Camacho
How Flexible your
Rigid-Body Docking Should Be |
Abstract
|
| 12.10 - 14.15 |
Lunch break |
|
| 14.15 - 14.50 |
Juan
Fernández-Recio
ICM optimization
of flexible interface side-chains in protein-protein docking:
successes and limitations |
Abstract
|
| 14.50 - 15.25 |
Ludwig
Kripphal
Flexibility as part
of the geometric filtering problem |
Abstract
|
| 15.25 - 17.00 |
Poster session
and coffee break |
Posters
|
| 17.00 - 17.35 |
Michael
J.E. Sternberg
Modelling the structure
of protein-protein complexes |
Abstract
|
Thursday
29th April
| 9.00 - 9.35 |
Ruben
Abagyan
Simulating induced
fit in molecular docking |
Abstract
|
| 9.35 - 10.10 |
Dina
Schneidman
Modeling large-scale
hinge-bent motions in docking |
Abstract
|
| 10.10 - 10.30 |
Discussion session |
|
| 10.30 - 10.50 |
Coffee break |
|
| 10.50 - 11.25 |
Karine
Bastard
Accounting for protein
loop flexibility during macromolecular docking |
Abstract
|
| 11.25 - 12.00 |
Martin
Zacharias
How to efficiently
account for side chain flexibility and global motions
during docking |
Abstract
|
| 12.00 - 14.00 |
Lunch break and
poster session |
Posters
|
| 14.00 - 14.35 |
Alexandre
M.J.J Bonvin
HADDOCK: an information-driven
flexible docking approach |
Abstract
|
| 14.35 - 15.10 |
Graham
R. Smith
How may the use
of MD and rigid-body docking algorithms overcome
the protein flexibility
problem associated with complex formation? |
Abstract
|
| 15.10 -19.30 |
Afternoon
free |
|
| 19.30 |
Dinner |
|
Friday
30th April
| 9.00 - 9.35 |
Yuval
Inbar
Combinatorial docking
for multi-molecular assembly and protein structure prediction |
Abstract
|
| 9.35 - 10.10 |
Raik
Gruenberg
Complementarity
of structure ensembles in protein-protein binding |
Abstract
|
| 10.10 - 10.30 |
Discussion session |
|
| 10.30 - 10.50 |
Coffee break |
|
| 10.50 - 11.25 |
Olivier
Lichtarge
Prediction of interacting
surfaces by the Evolutionary Trace method |
Abstract
|
| 11.25 - 12.00 |
Leslie
Kuhn
Modeling Correlated
Protein Main-chain Motions in Proteins and their Ligands |
Abstract
|
| 12.00 - 13.30 |
Lunch break |
|
| 13.30 - 14.05 |
Heather
A. Carlson
Protein flexibility
and drug design: How to hit a moving target |
Abstract
|
| 14.05 - 15.05 |
Discussion session |
|
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