Project Work Package 5

The aim of the WP is to create a joint computing centre for structural biology data storage and analysis for all the structural techniques involved in the project (namely, bioSAXS, cryo-EM and NMR). The computational resources will be physically installed at IC-CNR-BA, with a main focus on the implementation and provision of services for cryo-EM and bioSAXS experiments, and at Instruct IT, mainly for the elaboration of NMR data and for the development of bioinformatics tools for metalloproteins. The aforementioned computational resources is complemented by adequate storage capacity, to handle the data generated at all the experimental centers of ITACA.SB. The capacity to analyze the structure and function of biological macromolecules using high-performance, parallel computation and storage is a critical component in making the most of newly collected experimental data and gaining the most new biological knowledge.
The configuration of the computing and storage infrastructure at the heart of this WP guarantees the optimal exploitation of the data collected by the users, taking into account also open science aspects, consequently maximizing the efficiency and scientific impact of the RI. This will be achieved also through the formalization of the computational workflows used for the analysis of experimental structural biology data at ITACA.SB.