Fast fitting to low resolution density maps: elucidating large-scale motions of the ribosome.

ABSTRACT: Determining the conformational rearrangements of large macromolecules is challenging experimentally and computationally. Case in point is the ribosome; it has been observed by high-resolution crystallography in several states, but many others are known only from low-resolution methods including cryo-electron microscopy. Combining these data into dynamical trajectories that may aid understanding of its largest-scale conformational changes has so far remained out of reach of computational methods. Most existing methods either model all atoms explicitly, resulting in often prohibitive cost, or use approximations that lose interesting structural and dynamical detail. In this work, I introduce Internal Coordinate Flexible Fitting, which uses full atomic forces and flexibility in limited regions

SUBMITTER: Flores SC 

PROVIDER: S-EPMC3902909 | biostudies-literature | 2014 Jan

REPOSITORIES: biostudies-literature