DrugScore

Relevant knowledge-based scoring functions developped in our group include: DrugScore^RNA, DrugScore²⁰¹⁸ and DrugScore^PPI. These functions, derived from PDB-derived statistical potentials, fine-tuned by an atomtype-based QSAR approach, can be used to predict and quantify RNA-ligand (DrugScore^RNA) and protein-ligand (DrugScore²⁰¹⁸) and protein-protein (Drugscore^PPI) interactions. Drugscore^PPI is a scoring function for computational alanine-scanning in protein-protein interfaces and can be used to identify hot spots in protein-protein interfaces.

A webserver for DrugScore^PPI is available.

Pfeffer & Gohlke J. Chem. Inf. Model. (2007)

Dittrich et al. J. Chem. Inf. Model. (2019)

Krüger & Gohlke Nucleic Acids Research (2010)