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Download area of the AG Klebe

Data security in the university-wide computer network made it necessary to change the operation system of our servers at the beginning of 2020, which unfortunately meant that the software offered by the Klebe Group for many years is no longer available for download. Since the necessary adjustments are not trivial and would require considerable personnel capacity, this can unfortunately no longer be achieved. We therefore apologize that the years of free service will have unfortunately to be discontinued.

All programs from the free area could be downloaded free of charge and without any usage restrictions. Only a free registration had been required. Files from the restricted area were only unlocked for certain users. You could find more information about this in the respective programs.


fconv

A tool for the daily work with pdb(qt), mol2, dlg, cif and sdf files.
http://dx.doi.org/10.1093/bioinformatics/btr055

PubMed link to the fconv publication: http://www.ncbi.nlm.nih.gov/pubmed/21335612


clusterScore

Clustering of Cavbase scores or other similarity and distance matrices.

Supporting Information


DSX

Knowledge-based scoring function DSX from the Klebe group (http://dx.doi.org/10.1021/ci200274q)


DrugScore

Knowledge-based scoring function, will be further maintained and developed in the group of Prof. Holger Gohlke (https://cpclab.uni-duesseldorf.de/index.php/Software)