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Breaking news
Our lab among the 6 winners of the 1st international CACHE challenge to predict hits for the WDR domain of LRRK2
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Software Corner
Sindt et al., ACS Cent. Sci., 2024, in press
Protein Structure-Based Organic Chemistry-Driven Ligand Design from Ultralarge Chemical Spaces
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GPCR Corner
Urvas et al., J. Med. Chem, 2023, 66, 7070-7085
Structural Insights into Molecular Recognition and Receptor Activation in Chemokine-Chemokine Receptor Complexes
News & Events
9th Strasbourg Summer School in Cheminformatics
June 24-28, 2024
Contact
Phone, fax, e-mail
Address: 74,Route du Rhin - BP.60024
Illkirch - France
Telephone: +33 3 68 85 42 35
FAX: +33 3 68 85 43 10
Secretary: +33 3 68 85 42 20
E-mail: rognan[@]unistra.fr
Welcome to Our Website
Our Mission
Our group aims at accelerating and rationalizing the discovery of novel druggable targets as well as innovative ligands for treating diseases with unmet medical needs.
If you are interested in computer sciences and drug design, please join us ...
Databases
sc-PDB
Ann annotated database of druggable binding sites from the protein databank
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PPIome
A database of druggable cavities at biologically relevant PPIs
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BioinfoDB
A database of commercialy available drug-like compounds
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LIT-PCBA
An HTS dataset for machine learning
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