Maria Sokolova co-authored a paper in Proteins: Structure, Function, Bioinformatics

Skoltech professor Maria Sokolova has co-authored a paper “Computational models in the service of X-ray and cryo-EM structure determination” that has been recently published in Proteins: Structure, Function, Bioinformatics journal. The study is focused on the spatial protein structure prediction via computational methods including AlphaFold2 and the analysis of protein structure prediction by CASP (Critical assessment of structure prediction) that conducts community experiments to determine the protein structure from amino acid sequence. This work provides accounts of the successful application of models to structure determination, including molecular replacement for X-ray crystallography, backbone tracing and sequence positioning in a cryo-electron microscopy structure, and correction of local features. The results suggest that, in future, there will be greatly increased synergy between computational and experi-mental approaches to structure determination. Full text of the paper is available here