3decision for Molecular Modelers
The following are some typical use cases for Molecular Modelers
Get an overview of all structural knowledge on your target (public and proprietary data)
Find protein-ligand complexes binding to a similar 3D interaction pattern to your query
Flag possible off-targets or find ligands binding to a similar binding site to the one of interest for your project
Explore the pocket druggability of your target and analyze binding sites on 3D Viewer
Explore pockets on structures | Visually explore druggable pockets on your structure
Sub-pocket similarity search | Search for similar sub-regions of your target, create data sets and find a similar chemical matter that binds to the sub-region
Interaction Search | Retrieve all structures containing a specific 3D pattern of interactions to inspire your design of new compounds and flag possible off-targets.
Annotation Browser | Use the 3D sequence annotations to get more structural insights when visually analyzing your biomolecule.
Videos
How to use the Interaction Search in 3decision?
How to use 3decision Annotation Browser to explore GPCR 3D structures?
3decision Facilitates Collaboration in Drug Discovery Projects
3decision allows you to perform advanced searches of protein & ligand 3D structural data and analyze the results with a set of integrated tools. The user interface is adapted to both beginners and advanced users and allows the whole drug discovery team to generate, test, and share ideas.