wwLigCSRre -- Ligand-based Screening server
What you can do:
Find information about 3D protein structure from a ligand perspective.
Highlights:
- wwLigCSRre is a web server that performs ligand-based screening using a 3D molecular similarity engine.
- It aims to provide an online versatile facility to assist the exploration of the chemical similarity of families of compounds, or to propose some scaffold hopping from a query compound.
- The service allows the user to screen several chemically diversified focused banks, such as Kinase-, CNS-, GPCR-, Ion-channel-, Antibacterial-, Anticancer- and Analgesic-focused libraries.
- It also provides the possibility to screen the DrugBank and DSSTOX/Carcinogenic compounds databases.
- User banks can been downloaded.
- The 3D similarity search combines both geometrical (3D) and physicochemical information.
Keywords:
- ligand
- protein-ligand interaction
- protein structure prediction
Literature & Tutorials:
This record last updated: 08-14-2009