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• SENSAAS-Bioisostere for bioisosteric replacements and scaffold-hopping

  Reference:

• Somme L., Es Saim Y., Payan F. and Douguet D., SENSAAS-Bioisostere: a computational method for 3D shape-guided bioisosteric replacements and scaffold-hopping, Eur J Med Chem., 2026 (in press).

  doi: 10.1016/j.ejmech.2026.119041

  The documentation and source code are available on GitHub at sensaas-bioisostere project. This repository and documentation includes SENSAAS and SENSAAS-Flex tools.

  
  

• SENSAAS-Flex for rigid or flexible alignments

  Reference:

  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, 40:3, btae105.

  doi: 10.1093/bioinformatics/btae105

  The documentation and source code are available on GitHub at sensaas-flex project.

  
  

• 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.