Cheminformatic Tools and Databases for Pharmacology
 
Source code and documentation for using SENSAAS and SENSAAS-Flex:


  • SENSAAS-Flex for rigid or flexible alignments

    Reference:

    The link for downloading the source code and documentation is indicated in the following publication:

    Biyuzan H., Masrour M.-A., Grandmougin L., Payan F. and Douguet D., SENSAAS-Flex: a joint optimization approach for aligning 3D shapes and exploring the molecular conformation space, Bioinformatics, 2024

    doi: 10.1093/bioinformatics/btae105

    The documentation and source code are available at download tar.gz archive.


  • SENSAAS for rigid alignments

    Reference:

    Douguet D. and Payan F., SenSaaS: Shape-based Alignment by Registration of Colored Point-based Surfaces, Molecular Informatics, 2020, 8, 2000081.

    doi: 10.1002/minf.202000081

    The code for the rigid version is available on GitHub at sensaas project.



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