Volume 3 Supplement 1

4th German Conference on Chemoinformatics: 22. CIC-Workshop

Open Access

New and improved features of the docking software PLANTS

  • TE Exner1,
  • O Korb1 and
  • T ten Brink1
Chemistry Central Journal20093(Suppl 1):P16

https://doi.org/10.1186/1752-153X-3-S1-P16

Published: 05 June 2009

We will summarize the latest developments for our protein-ligand docking software PLANTS (Protein-Ligand ANT System) [1][2][3]. This will include the pre-processing of the ligands and the protein performed by the program SPORES (Structure PrOtonation and REcognition System), parameterization of a new scoring function, as well as the inclusion of additional degrees of freedom into the docking process like flexible side chains and essential water molecules. The use of constraints from experimental data for improving the docking poses will be presented. Finally, an outlook towards the possible usage of the PLANTS approach for the flexible alignment of multiple ligands will be given.

Authors’ Affiliations

(1)
Fachbereich Chemie, Universität Konstantz

References

  1. Korb O, Stützle T, Exner TE: Empirical Scoring Functions for Advanced Protein-Ligand Docking with PLANTS. J Comp Chem. 2008.Google Scholar
  2. Korb O, Stützle T, Exner TE: An ant colony optimization approach to flexible protein-ligand docking. Swarm Intell. 2007, 1: 115-134.View ArticleGoogle Scholar
  3. Korb O, Stützle T, Exner TE: PLANTS: Application of Ant Colony Optimization to Structure-Based Drug Design. Lecture Notes in Computer Science 4150. 2006, 247-258.Google Scholar

Copyright

© Exner et al; licensee BioMed Central Ltd. 2009

This article is published under license to BioMed Central Ltd.