We developed new local structural alignment algorithms for prediction of protein-protein binding sites. The search for structural neighbors in the new algorithms has been extended to all the proteins in the PDB and the query protein is compared to more than 60 000 proteins or over 300 000 single-chain structures. The resulting structural similarities are combined and used to predict the protein binding sites. This study shows that the location of protein binding sites can be predicted by comparing only local structural similarities irrespective of general protein folds.
COBISS.SI-ID: 4491290
Study of the structure and mechanisms of diaryliodonium salts which bind the active fluorine is important for the design of new active substances to perform positron emission tomography (PET) scans. In this paper we focused on the formation of dimers and their energetics.
COBISS.SI-ID: 4487706