Optimizing model representation for integrative structure determination of macromolecular assemblies.

ABSTRACT: Integrative structure determination of macromolecular assemblies requires specifying the representation of the modeled structure, a scoring function for ranking alternative models based on diverse types of data, and a sampling method for generating these models. Structures are often represented at atomic resolution, although ad hoc simplified representations based on generic guidelines and/or trial and error are also used. In contrast, we introduce here the concept of optimizing representation. To illustrate this concept, the optimal representation is selected from a set of candidate representations based on an objective criterion that depends on varying amounts of information available for different parts of the structure. Specifically, an optimal representation is defined as the highest-

SUBMITTER: Viswanath S 

PROVIDER: S-EPMC6329962 | biostudies-literature | 2019 Jan

REPOSITORIES: biostudies-literature