Software Updates: SeeSAR 13.1 and infiniSee 6.1
7In order to succeed in research and development, state-of-the-art drug discovery requires novel methods to efficiently address existing challenges.
In this webinar, we will highlight recent major updates to both of our drug discovery platforms, SeeSAR 13.1 and infiniSee 6.1. This includes the polishing of the covalent docking utilization in the user interface: Covalent warheads are automatically detected and transformed into their target-bound form. With more adjustable parameters on hands, users can now easily fine tune their settings to achieve better results in their projects. Additional topics include the new target view control, the External Docking Mode, and many more.
As for infiniSee, we will showcase the use of the highly-anticipated R-group search in the Motif Matcher to extract expanded compounds from ultra-large Chemical Spaces. Together with augmentations to the compound handling in the Analyzer Mode, users can now perform even more sophisticated follow up with their results. Finally, use cases of the novel ad hoc libraries will be presented, allowing users to cross-screen molecules retrieved with infiniSee in its different modes.
SeeSAR: https://www.biosolveit.de/SeeSAR
infiniSee: https://www.biosolveit.de/infiniSee
0:00 Introduction
2:44 Covalent Docking
18:18 Target View Control
23:03 External Docking Mode
31:42 infiniSee
33:05 Ad Hoc Libraries
35:26 Analyzer Mode Augmentations
36:47 New Elements
37:47 R Group Search