[gmx-users] Workshop on Molecular Docking, Complexity and Optimization

Carsten Baldauf carsten.baldauf at biotec.tu-dresden.de
Wed May 2 09:50:41 CEST 2007

Dear All,
There will be a workshop on problems of molecular docking and
applications of sophisticated optimization algorithms held as a
satellite conference of the European Conference on Complex Systems in
October 2007 in Dresden.

The molecular docking problem is to find the best orientation of two
molecules to each other. The interaction can be modeled by a scoring
function that includes terms describing the inter- and intramolecular
energies. The number of degrees of freedom strongly depends on the
complexity of the docking approach. The resulting fitness landscape is
highly irregular. Due to this complexity sophisticated optimization
algorithms are needed. Bio-inspired methods are known to be valuable
tools to successfully explore such search spaces.In order to gain a
deeper insight to biochemical processes and to support the finding of
potent drugs, these methods are of great importance in academic and
industrial research.

The aim of the workshop is to serve as platform for scientific exchange
and collaboration.

There will be six session on the topics:

- Modeling of molecular interaction
- High throughput screening and clustering
- Protein-Protein Docking
- Bio-inspired optimization
- Fitness landscapes
- Multi-objective approaches

Besides invited talks, there are free slots for presentations and the
possibility to hang a poster. Applications for presentations from
researchers at the pre/post-doctoral level are especially encouraged.

For the workshop see http://pacosy.informatik.uni-leipzig.de/MDCO-2007
For the ECCS'07 see http://www.trafficforum.org/dresden

Please spread this E-mail in your communities!

Thank you and best wishes from Dresden,
Carsten Baldauf

dr carsten baldauf
biotechnologisches zentrum der tu dresden

Molecular Docking, Complexity, and Optimization
See http://pacosy.informatik.uni-leipzig.de/MDCO-2007/

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