Research at large scale facilities such as free electron lasers and synchrotrons has generated large sets of experimental data which allow for determining equilibrium and transient structures of matter. The advent of high-repetition rate free electron lasers will result in data sets of unprecedented size. The adequate analysis of such data requires new and highly efficient methods. Moreover, the general availability of large data sets allow for testing and implementation new numerical approaches and tools. In this context, machine learning and methods based on artificial intelligence are highly relevant and hot topics of current research. Artificial intelligence also has profoundly impacted work at the other end of the spectrum, providing neural networks that are substantially more effective at protein design. Those networks open access to much larger regions of amino acid sequence space in which to search for functional macromolecules and how they vary with sequence.
The special issue aims to explore the unprecedented enhancement of both the input to, and the outputs from structural science.
Topics covered include, but are not limited to:
- Data selection and analysis making use of ML and AI,
- Algorithms and software for data analysis and statistics
- High-speed wide-area data transfer and storage
- Prototypical applications in time-resolved structure research
- Structural bioinformatics
How to Submit:
- Please submit through the journal’s online submission system. You may need to create an account if you do not already have one.
- During the submission process you will be asked if your manuscript is part of a special topic. Please answer “Yes” and select “Artificial Intelligence and Structural Science” from the subsequent drop-down menu.