“Enabling better science by improving the most popular biomolecular software and spreading best practices and expertise among the communities through consultancy and training.“
Computational modelling and simulation techniques have long since become crucial tools for Life Science researchers. Powerful and sophisticated software packages are critically important for fundamental and applied research, including industrial development, in particular in the areas of drug design, biotechnology, food and chemical industries. At the same time, compared with some other disciplines, data and computing e-Infrastructure is under-utilized in the Life Sciences, and many advanced techniques are not routinely applied owing to limited experience.
Thus, our mission is to enable scientists to fully exploit the power of data and computing e-infrastructure by providing support to non-experts and advanced users; improving the performance and functionality of key applications; and developing user-friendly computational workflows.
“A central hub for biomolecular modelling and simulations“
Despite the importance and increasing adoption of those simulation techniques, the user communities in Europe are rather fragmented. Support and maintenance of codes is done by small to mid-sized groups, and there is a noticeable lack of overall interactions that can ensure coordinated approaches, knowledge transfer and structured initiatives. The fragmentation is also quite noticeable in the comparatively minimal interactions between academia (researchers working on method and software development) and industry (users and beneficiaries of the academic outcomes), as well as high-end (HPC and HTC/Cloud etc.) resource providers.
Thus, our vision is for BioExcel CoE to become a focal point for advances in software development, knowledge exchange and support, as well as a networking facilitator for the wider community of computational biomolecular researchers.