Hello, the following positions are available in the workinggroup of Prof. Gasteiger at the Computer-Chemie-Centrum. I. SFB A position for graduate studies (PhD track) is available from September 1, 2001, at the Computer-Chemie-Centrum of the University Erlangen-Nürnberg, Germany. We have developed methods for the automatic generation of three-dimensional molecular models for organic and many organometallic compounds. Furthermore, we have developed procedures for the treatment of the conformational flexibility of molecules based on an analysis of X-ray crystallographic data. These methods should now systematically be extended to organometallic structures. The relationships between the 3D structure of organometallic compounds and their catalytic activity should be established by neural networks. The project will be pursued in collaboration with several groups of our university within the consortium (SFB) "Redox-active Metal Complexes". The project has initially be granted for 3 years. Required working field knowledges: well-founded knowledge in Chemisty, acquaintance with electronic data processing. A knowledge of a programming language (such as C, C++ or Java) would be helpful. Please send your applications to: Prof. Dr. Johann Gasteiger Computer-Chemie-Centrum und Institut für Organische Chemie Universität Erlangen-Nürnberg Nägelsbachstrasse 25 D-91052 Erlangen Email: gasteiger@chemie.uni-erlangen.de www: http://www2.chemie.uni-erlangen.de ---------------------------------------------------------------------------------- II. BioPath Both, a postdoctoral position and a PhD track position are available from September 1, 2001 at the Computer-Chemie-Centrum of the University Erlangen-Nürnberg, Germany. The regulation of biochemical pathways and the metabolism of compounds presently are of central interest in drug design. We use methods of chemo- and bioinformatics to understand the physicochemical and biochemical influences on the individual reaction steps. We have built a database of biochemical pathways which we can now analyze through a broad range of search criteria. We have developed methods for defining the similarity of reactions and will explore how this corresponds with enzyme classification. Investigations of reaction networks should give us insight how gene expression results in the regulation of biochemical pathways. We hope to also find rules that will allow us the prediction of the metabolism of drugs. The project is funded for 5 years by the German Federal Government and is pursued in collaboration with several bioinformatics groups. We expect interest in the modeling of biochemical reactions and experiences in the use of computers. A knowledge of programming (e.g. C, C++, Tcl Tk, Java) would be helpful. Please send your applications to: Prof. Dr. Johann Gasteiger Computer-Chemie-Centrum und Institut für Organische Chemie Universität Erlangen-Nürnberg Nägelsbachstrasse 25 D-91052 Erlangen Email: gasteiger@chemie.uni-erlangen.de www: http://www2.chemie.uni-erlangen.de -- Computer-Chemistry-Center and Institute of Organic Chemistry University of Erlangen-Nuernberg Naegelsbachstrasse 25, D-91052 Erlangen (Germany) Tel (+49)-(0)9131-85-26579 Fax (+49)-(0)9131-85-26566 email: Frank.Oellien@chemie.uni-erlangen.de WWW : http://www2.ccc.uni-erlangen.de/oellien/ http://www2.ccc.uni-erlangen.de/ChemVis/ chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)