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Updated: Jun 4, 2026

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Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
Published on: July 25, 2013
Design of optimally switchable molecules by genetic algorithms
Niss Ole Carstensen1, Johannes M Dieterich, Bernd Hartke
1Institut für Physikalische Chemie, Christian-Albrechts-Universität, Olshausenstraße 40, 24098 Kiel, Germany.
Physical Chemistry Chemical Physics : PCCP
|February 10, 2011
Abstract:
We demonstrate the possibility to design molecules for specific tasks, using a fully automatic global optimization setup employing genetic algorithms. As an example, we tune the two excitation wavelengths of a molecular switch backbone to arbitrarily pre-set values, by an automatic optimization of the substituent pattern.
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