SeeSAR 14 Atlas - Hello Chemical Space Docking™ - Access the world of Chemical Spaces!
10Introducing SeeSAR 14 Atlas – the next generation tool for screening ultra-vast Chemical Spaces using Chemical Space Docking™ (C-S-D)! In this video, we’ll walk you through how C-S-D allows you to efficiently explore vast molecular universes and discover potential drug candidates faster than ever before. Learn how to to unlock molecular diversity while using only a fraction of the computational resources required by traditional methods. Plus, we’ll dive into other exciting features.
Discover how SeeSAR 14 Atlas opens up new possibilities for drug discovery, including partnerships with AMBrosia, CHEMriya, eXplore, and Enamine’s REAL Space. Dive into new chemical territories and enhance your workflow with SeeSAR 14's innovative tools!
For more information, check out the SeeSAR Atlas spotlight page:https://www.biosolveit.de/products/seesar/seesar-14-atlas-the-horizon-of-chemical-space-exploration/.
Timestamps:
0:00 - Introduction
0:11 - Welcome
1:05 - Installing SeeSAR 14
1:31 - Installing HPSee 2.0
4:14 - Loading Spaces
5:09 - CSD Getting Started
6:31 - Entering Space Docking
8:34 - Starting Anchoring
9:33 - Implications of remote computation
12:38 - Starting extension
13:42 - Selecting Molecules
15:37 - Template based Anchoring
18:04 - Collapsible Tables
18:47 - PDBx/mmCIF Support
19:15 - Multi-Protein-Ligand Export
20:28 - Thank you!