The femtosecond-duration pulses of X-ray free-electron lasers overcome the limitations of exposures of biological materials by outrunning radiation damage. In this way, it has become possible to obtain meaningful data from samples too small for conventional analyses, at the expense of measuring only a single exposure from a single object. Diffraction data collected in a serial fashion from a...
Advances in computer science, particularly in the field of AI, is having a significant impact on biomolecular research. AI methods such as deep neural networks have shown great promise in predicting protein structures as demonstrated by the AlphaFold project [1]. Here, I will outline recent achievements as well as present a case study that benchmarks AlphaFold’s performance for G...
High Performance Computing, i.e. scientific computing where performance matters, has been somewhat intimidating for non-experts. With the recent surge of machine learning, HPC technologies have found massive adoption in the commercial software world, which in turn allows us to make better use of extreme-scale computing and data in scientific workflows. Alps is how we call the new...
X-ray free electron laser (XFEL) is an exciting new technology that could significantly extend our structural knowledge of biological systems. One of the experimental approaches currently pursued is “single particle analysis,” in which intense laser light from XFEL is used to observe single molecular complexes. Since it does not require crystallization, various systems could be studied under...
