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Tuesday, December 25, 2012

3rd Indo-German Conference on Modelling Chemical and biological (Re) Activity

To have an Indo-German meeting on interconnecting concepts in computational modeling of chemical re activity and biological activity. Both fields have in common the challenge of working with large systems at molecular resolution as well as the goal to match existing experimental data with high accuracy. Theoretical methods are expected to provide quantitative models for the rationalization of existing data and for the prediction of the properties of new systems in pharmaceutical and catalysis research. A list of possible subtopics includes:
1. Biological Activity Catalysis
2. Drug-Receptor Interactions
3. Macromolecular Modeling
4. Molecular Dynamics
5. Non-covalent Interactions
6. Property Design
7. Reaction Mechanisms
8. Reactivity Descriptors

Aside from the question of methodological and conceptual exchange, particular emphasis will be given to the training and involvement of younger scientists and the systematic development of an exchange-based cooperative network. To this end the symposium will feature five training sessions on topics of general interest. These training sessions will be given in a workshop format requiring the active involvement of the participation of the audience. A second important element for student involvement is the poster session, which is planned for the first day of the symposium in an open-end format.

The organization of a structured program for graduate education along the lines suggested  by the concept of International Graduate Research Training (IRTG) schools is one of the primary objectives of this meeting. However, the current IRTGs established by DFG involve the assumption of only two academic institutions as the main sites of scientific activities. This condition collides with the typically small number of theoretically oriented research groups in chemistry at German and Indian institutions, implying that IRTG concepts in their current form have to be amended for the effective implementation in the above cited scientific area. The meeting is expected to provide a platform for group-to-group coordination, with a focus on strengthening graduate education in the interdisciplinary area of computational chemistry and biology in Germany and India.

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