Relevant knowledge-based scoring functions developped in our group include: DrugScoreRNA, DrugScore2018 and DrugScorePPI. 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 (DrugScoreRNA) and protein-ligand (DrugScore2018) and protein-protein (DrugscorePPI) interactions. DrugscorePPI 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 DrugScorePPI is available.
Pfeffer & Gohlke J. Chem. Inf. Model. (2007)
Dittrich et al. J. Chem. Inf. Model. (2019)
Krüger & Gohlke Nucleic Acids Research (2010)
Last Modified: 01.06.2022