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SeeSAR: movies

collection

tutorial:
an introduction to SeeSAR 9

To get you quickly going with all the new features in the latest major SeeSAR release, we will give a tutorial style webinar. We will show you the most prominent use cases of SeeSAR which help to save time in a plethora of drug discovery applications: exploring proteins, finding binding sites, placing ligands in binding sites, ideation, optimizing ligands in binding sites, improving affinity and ADME/T properties, circumnavigating difficult cores and many more.

tutorial:
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.

tutorial:
use SeeSAR to optimize your compound

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

tutorial:
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.

tutorial:
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!

tutorial:
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.

tutorial:
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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