Aggregation detection software tools | Protein physicochemical properties data analysis
Protein aggregation underlies an increasing number of disorders and constitutes a major bottleneck in the development of therapeutic proteins. Our present understanding on the molecular determinants of protein aggregation has crystalized in a series of predictive algorithms to identify aggregation-prone sites.
A simple and fast algorithm that predicts aggregation-prone segments in protein sequences, compares the aggregation properties of different proteins or protein sets and analyses the effect of mutations on protein aggregation propensities.
Predicts the aggregation propensities of several disease-related mutations in the Alzheimers b-peptide. TANGO is based on simple physico-chemical principles of secondary structure formation extended by the assumption that the core regions of an aggregate are fully buried. This method offers the possibility to screen large databases for potentially disease-related aggregation motifs as well as to optimize recombinant protein yields by rationally out-designing protein aggregation.
This web app helps to predict the aggregation propensities of polypeptide chains based on their amino acid sequences. Zyggregator uses the fact that the sequence of a protein determines its behaviour in the case of folding, misfolding and aggregation. This tool is of significant value in developing rational approaches to the avoidance of aggregation in biotechnology and to the treatment of protein deposition diseases.
Determines protein aggregation from sequence. PASTA can evaluate the effect of point-mutations on the aggregation profile. It annotates each sequence with aggregation-prone regions, alpha-helix, beta-strand, coil and intrinsic disordered regions. This tool is able to identify secondary structure using a machine learning algorithm. It enables the study of pathogenic mutations and of cross-amyloid interactions between protein heterodimers.
Consists of a modeling solution for biologics. BioLuminate is a suit that aims to address issues associated with the molecular design of biologics. The software enables protein-protein docking, protein engineering and antibody modeling. Users can also perform advanced computational analyses, including for instance helical stability/melting analysis from molecular dynamics (MD) simulations, or free energy perturbation (FEP) calculations of binding affinity and protein stability. The suite includes AggScore, which identifies aggregation hotspots.