Knowledge-based instantiation of full atomic detail into coarse-grain RNA 3D structural models.

ABSTRACT:

Motivation

The recent development of methods for modeling RNA 3D structures using coarse-grain approaches creates a need to bridge low- and high-resolution modeling methods. Although they contain topological information, coarse-grain models lack atomic detail, which limits their utility for some applications.

Results

We have developed a method for adding full atomic detail to coarse-grain models of RNA 3D structures. Our method [Coarse to Atomic (C2A)] uses geometries observed in known RNA crystal structures. Our method rebuilds full atomic detail from ideal coarse-grain backbones taken from crystal structures to within 1.87-3.31 A RMSD of the full atomic crystal structure. When starting from coarse-grain models generated by the modeling tool NAST, our method builds full ato

SUBMITTER: Jonikas MA 

PROVIDER: S-EPMC2788923 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature