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SeeSAR: movies


rescaffolding in SeeSAR with ReCore

How to use the amazing new ReCore sneak preview rescaffolding machinery in SeeSAR. Protein clash filtering, pharmacophore etc. — all this to be added soon.

application story:
discovery of a low molecular weight inhibitor for BTK

The discovery of a low molecular weight inhibitor for Brutons Tyrosine Kinase as published by Takeda (DOI: 10.1021/acs.jmedchem.5b00734) has been recapitulated with SeeSAR, and excellent agreement has been found between the potency and the estimated affinity.

an introduction to SeeSAR

SeeSAR is a software tool for interactive, visual compound prioritization as well as compound evolution. This video provides a brief tutorial-style introduction.

use SeeSAR to optimize your compound

Getting acquainted with the basic features of SeeSAR: loading, analyzing, editing.

let SeeSAR help you find a "magic methyl"

The affinity prediction method within SeeSAR is well able to explain very steep activity cliffs. We demonstrate this on the basis of a classical magic methyl case of a p38 Map Kinase as discovered by GSK.

how SeeSAR handles covalent binders

⅓ of marketed drugs are covalent binders. Use SeeSAR to increase your drug\'s target occupancy for more effective treatment!

manually select waters now for in- or exclusion in SeeSAR

SeeSAR enables you to manually select waters to be either conserved (clash test still applies) or to be excluded from the active site.

define the binding site within SeeSAR

To define, in which binding site SeeSAR should calculate the qualitative affinity, you can either select a co-crystalized compound, or an allosteric or apo site, calculated with the integrated DoGSiteScorer. Watch the video to see how to do it.


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