SeeSAR 11 Teaser

Covalent Docking
Form bonds that matter

Connect what is supposed to be connected. In SeeSAR 11 'Hephaestus', named after the Greek god of craftsmen, artisans, forging, and volcanoes, we introduce the innovation of docking your compounds to the desired residue covalently. Edit covalent ligands in your PDB structures or assess your docked complexes with elaborate data, while SeeSAR’s visual and intuitive presentation of results guides your decision making.
Just pick one of your favorite ligands and a residue. Covalent docking creates endless possibilities to design and screen for irreversible agonists and antagonists for a multitude of targets.

covalent docking of a ligand

Expect déjà-vus
Capture and restore scenes

The annotation panel now gets a whole new meaning and purpose: Orient each complex with all of your carefully chosen visual settings and save that as a scene, and in one click restore it.
Along with that, now you can retrieve saved projects in the exact visual state they have been saved before. We understand that SeeSAR projects last through all phases of your drug discovery journey, and now you can quite literally, continue saved projects, effortlessly present and discuss results, fostering meaningful collaborations.

Export your complex as a 3D model

Get over mere 2D images on presentations: Breathe life into your presentations and discussions with comprehensive 3D models of your target-ligand complexes, with a one-click export. The export of 3D representations is inclusive of SeeSAR’s visual analysis support. Affinity benefactors and malefactors can easily be distinguished at first glance, their contribution be quantified by the size of the HYDE sphere.
Discuss further steps and share ideas live, during your presentation, without switching between different apps by simply manoeuvring over the binding mode in the slide itself.

Fully understand your binding site

Get to know your binding site better! Additional descriptor columns in the pocket table give you a lot more qualitative & quantitative information on the properties of the different binding sites available, helping you make better decisions faster!
Properties of all potentially druggable areas in your target, including the size of the binding site, number of involved hydrogen bond donors and acceptors, and the hydrophilicity of the surface area, are clearly presented in sortable tabular format. Select the binding site that fits your needs best based on multiple parameters, and start your project well-prepared.

Secondary structure representation

SeeSAR now automatically computes and displays secondary structural elements using the DSSP algorithm from any PDB formatted file, irrespective of its origin, including homology models. Even users' own in-house structures, perhaps lacking such explicit information, will now be augmented with their secondary structural elements displayed as helices, sheets, and coils.

Expect déjà-vus
Capture and restore scenes

The annotation panel now gets a whole new meaning and purpose. Orient each complex with all of your carefully chosen visual settings and save that as a scene, and in one click restore it.
Along with that, now you can retrieve saved projects in the exact visual state it was before it has been saved. We understand that SeeSAR projects last through all phases of your drug discovery journey, and now you can quite literally, continue saved projects, effortlessly present and discuss results, fostering meaningful collaborations.

Simply drag and drop multiple molecule files into molecule tables.
Saves a bunch of time!

conveniently drag and drop your molecules to your work space

SeeSAR you soon with version 11 'Hephaestus'

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