SIMS: a hybrid method for rapid conformational analysis.

ABSTRACT: Proteins are at the root of many biological functions, often performing complex tasks as the result of large changes in their structure. Describing the exact details of these conformational changes, however, remains a central challenge for computational biology due the enormous computational requirements of the problem. This has engendered the development of a rich variety of useful methods designed to answer specific questions at different levels of spatial, temporal, and energetic resolution. These methods fall largely into two classes: physically accurate, but computationally demanding methods and fast, approximate methods. We introduce here a new hybrid modeling tool, the Structured Intuitive Move Selector (sims), designed to bridge the divide between these two classes, while allowing

SUBMITTER: Gipson B 

PROVIDER: S-EPMC3720858 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature