Download BioSolveIT SeeSAR 13.1.0

BioSolveIT SeeSAR

SeeSAR is your intuitive, visual drug design platform. Covering every step of your drug discovery process — from virtual screening to fragment-based design — SeeSAR fosters ideation in the most fun and comprehensive way.

SeeSAR 12 features the new 3D mode ‘Similarity Scanner’. It allows users to enter the world of LBDD by calculating and comparing 3D similarities of a template molecule with a ligand screening set — without the need of any structural information.

Powered by information about volume, shape, and pharmacophore properties of molecular structural elements, the Similarity Scanner generates superpositions of molecules on a selected template.

A specialty of the algorithm is that we also align where interactions in 3D coincide. Users can interpret the visual output and use the provided similarity score to rank the results and cherry pick for compounds sharing interesting overlaps with the ligand of interest. This versatile method can be used as a new way of screening for potential actives and for scaffold hopping approaches.

Download BioSolveIT SeeSAR 13