Dynameomics: a comprehensive database of protein dynamics.

ABSTRACT: The dynamic behavior of proteins is important for an understanding of their function and folding. We have performed molecular dynamics simulations of the native state and unfolding pathways of over 2000 protein/peptide systems (approximately 11,000 independent simulations) representing the majority of folds in globular proteins. These data are stored and organized using an innovative database approach, which can be mined to obtain both general and specific information about the dynamics and folding/unfolding of proteins, relevant subsets thereof, and individual proteins. Here we describe the project in general terms and the type of information contained in the database. Then we provide examples of mining the database for information relevant to protein folding, structure building, the effe

SUBMITTER: van der Kamp MW 

PROVIDER: S-EPMC2892689 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature