BEES: Bayesian Ensemble Estimation from SAS.

ABSTRACT: Many biomolecular complexes exist in a flexible ensemble of states in solution that is necessary to perform their biological function. Small-angle scattering (SAS) measurements are a popular method for characterizing these flexible molecules because of their relative ease of use and their ability to simultaneously probe the full ensemble of states. However, SAS data is typically low dimensional and difficult to interpret without the assistance of additional structural models. In theory, experimental SAS curves can be reconstituted from a linear combination of theoretical models, although this procedure carries a significant risk of overfitting the inherently low-dimensional SAS data. Previously, we developed a Bayesian-based method for fitting ensembles of model structures to experimental

SUBMITTER: Bowerman S 

PROVIDER: S-EPMC6698195 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature