ASCONA: a new software for the detection and the alignment of active site conformations
1. März 2017
This article by Stefan Bietz and Matthias Rarey introduces ASCONA, a new software for the detection and the alignment of active site conformations.
ASCONA generates residue-wise mapping of active site residues that can, e.g., be used for flexibility analysis, transfer of binding site definitions, calculation of interaction fingerprints, or superimposition of protein binding sites. In contrast to most other alignment techniques, ASCONA focuses on an accurate alignment of sequentially similar, but structurally highly deviating binding sites.
ASCONA is available as part of the AMD tools bundle from here. Furthermore, it is part of our protein binding site extraction pipeline with the ProteinsPlus web service.
For further information please see pubs.acs.org/doi/abs/10.1021/acs.jcim.5b00210