Prediction of peptide fibrillation

Another important form of PPIs are aberrant interactions that form the basis of multiple aggregation-related diseases, such as Alzheimer's disease. Fibrillation also poses an important challenge in peptide and protein drug delivery. Despite the significant role of those amyloid-like fibrils, experimental data of structures in atomistic detail are rare.

To overcome this limitation, we have developed a novel, rapid computational method to predict amyloid-like fibril structures (Fibpredictor). The method combines beta-sheet model building, beta-sheet replication and symmetry operations with side-chain prediction and statistical scoring functions.