[gmx-users] Call for abstracts: Molecular Docking, Complexity, and Optimization. An ECCS 2007 Satellite Conference.

Carsten Baldauf carsten.baldauf at biotec.tu-dresden.de
Tue May 15 11:54:02 CEST 2007

Molecular Docking, Complexity, and Optimization

An ECCS 2007 Satellite Conference, Dresden, Germany
4th or 5th October 2007


organised by

Carsten Baldauf, Structural Bioinformatics Group, TU Dresden
Daniel Merkle, Parallel and Complex Systems Group, University of Leipzig

hosted by
Maria Teresa Pisabarro, Structural Bioinformatics Group, TU Dresden

This satellite conference is partially funded by the Klaus Tschira
Foundation gGmbH

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.

Unfortunately, there is a lack of communication between the
communities from computer and life sciences involved in these
topics. This event is intended to overcome this and to serve as a
platform for exchange of knowledge and for discussion. The focus is
not limited on original work but also on introductory talks from the
different fields of research.

Invited speakers for this satellite conference are

   * Martin Middendorf, University of Leipzig, Leipzig, Germany (Talk on
Swarm Intelligence)
   * Michael Thormann, Origenis AG, Munich, Germany
   * Peter Stadler, IZBI Leipzig, Leipzig, Germany (Talk on Fitness
   * Rebecca Wade, EML Heidelberg, Heidelberg, Germany
   * Wolfgang Wenzel, FZ Karlsruhe, Karlsruhe, Germany
   * Eckart Zitzler, ETH Zürich, Zürich, Switzerland (Talk on
Mulitobjective Optimization)
   * Robert Günther, Institute of Biochemistry, University of Leipzig,


There is no additional participation fee for this satellite workshop
(but it is necessary to pay the fee for the main conference). You will
have to register from the the main conference web site espressing your
wish to take part to this satellite meeting.
Call for Abstracts

If you want to give an oral presentation at our satellite conference or if
you want to present a poster, please submit a 1-page abstract till
01. July 2007 to both of the organizers.

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