ARIA for hybrid structure determination on the cloud

About

Protein structure determination is crucial for understanding protein function, as it paves the way to the discovery of new drugs and of new approaches to control pathological biological processes. The recent advances in structural biology now allow collecting structural information from a variety of techniques at various resolutions. Integration of such heterogeneous data to determine hybrid structure is currently a computational challenge in molecular modelling, both in term of computing efficiency and availability of bioinformatics tools. The widely used ARIA software developed at Institut Pasteur has proven very efficient in automatically determining protein structures from NMR data. In this project, we will expand the repertoire of input data types that can be used with ARIA for hybrid structure determination. In parallel, it is necessary to bridge the data analysis modules of ARIA with other relevant structure generation engines to be able to analyse the data types. To ultimately provide a perfectly transparent service to the end user, we will design a web-interface for ARIA and make hybridARIA freely available for the scientific community, notably through the cloud deployed by IFB.