A fast mathematical programming procedure for simultaneous fitting of assembly components into cryoEM density maps.

ABSTRACT:

Motivation

Single-particle cryo electron microscopy (cryoEM) typically produces density maps of macromolecular assemblies at intermediate to low resolution (approximately 5-30 A). By fitting high-resolution structures of assembly components into these maps, pseudo-atomic models can be obtained. Optimizing the quality-of-fit of all components simultaneously is challenging due to the large search space that makes the exhaustive search over all possible component configurations computationally unfeasible.

Results

We developed an efficient mathematical programming algorithm that simultaneously fits all component structures into an assembly density map. The fitting is formulated as a point set matching problem involving several point sets that represent component and assembly den

SUBMITTER: Zhang S 

PROVIDER: S-EPMC2881386 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature