Optimizing representations for integrative structural modeling using Bayesian model selection.

Integrative structural modeling combines data from experiments, physical principles, statistics of previous structures, and prior models to obtain structures of macromolecular assemblies that are challenging to characterize experimentally. The choice of model representation is a key decision in integrative modeling, as it dictates the accuracy of scoring, efficiency of sampling, and resolution of analysis. But currently, the choice is usually made Here, we report NestOR ( NestOR is implemented in the Integrative Modeling Platform ( https://integrativemodeling.org ) and is available at https://github.com/isblab/nestor . Data for the benchmark is at https://www.doi.org/10.5281/zenodo.10360718 . Supplementary Information is available online.