MAVENs: motion analysis and visualization of elastic networks and structural ensembles.

ABSTRACT:

Background

The ability to generate, visualize, and analyze motions of biomolecules has made a significant impact upon modern biology. Molecular Dynamics has gained substantial use, but remains computationally demanding and difficult to setup for many biologists. Elastic network models (ENMs) are an alternative and have been shown to generate the dominant equilibrium motions of biomolecules quickly and efficiently. These dominant motions have been shown to be functionally relevant and also to indicate the likely direction of conformational changes. Most structures have a small number of dominant motions. Comparing computed motions to the structure's conformational ensemble derived from a collection of static structures or frames from an MD trajectory is an important way to understan

SUBMITTER: Zimmermann MT 

PROVIDER: S-EPMC3213244 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature