In electron cryomicroscopy (cryo-EM), molecular structures are determined from projection images of individual particles. Dynamics and disorder pose major challenges in the reconstruction of three-dimensional electron densities from the projection images. Within a Bayesian statistical formulation, dynamics can be dealt with in formally appealing and practically useful manner. Key ingredients of the Bayesian inference of EM (BioEM) formalism are the forward calculation of projection images from structural models that can vary in resolution from atoms to featureless blobs, the evaluation of a Bayesian posterior that accurately reflects the degree of consistency between particle and model, and the scan of particle orientations and of parameters describing the imaging conditions. These demanding computational tasks can be performed in a highly parallelized and efficient manner by taking advantage of GPU-accelerated computer software. BioEM can be performed independently or in combination with traditional 3D reconstruction to deal with dynamics and disorder in single-particle cryo-EM.<br/>

Dealing with dynamics and disorder in single-particle cryo-EM

256th National Meeting (2018)

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