PELIKAN is a software tool enabling rapid searching of spatial interaction patterns in large collections of protein-ligand complexes. Data from protein-ligand complexes is stored in an SQLite database which can be subject to different search processes.
The PELIKAN software package comes with a graphical user interface, providing dialogs to build SQLite databases from any set of protein-ligand complexes and allowing the convenient construction of 3D queries starting from a protein-ligand interface of interest or from scratch. The results of a search are shown in a 3D viewer. To get a quick impression, just visit our documentation page with a few short tutorial movies.
PELIKAN is a part of the AMD tools software bundle. Our software is free for evaluation purposes and academic use.
Below, precompiled PELIKAN databases containing all protein-ligand complexes of different datasets can be downloaded. Please note that these are large binary files in a propriatary database format, they can only be used with the PELIKAN software:
People and References
 T. Inhester, et al. (2017). Index-Based Searching of Interaction Patterns in Large Collections of Protein-Ligand Interfaces, Journal of Chemical Information and Modeling (2017) in print, DOI: http://pubs.acs.org/doi/abs/10.1021/acs.jcim.6b00561
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 A.J. Kooistra et al. (2016). KLIFS: a structural kinase-ligand interaction database. Nucleic Acids Research (2016) 44: D365-D371.
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