UniCon3D: de novo protein structure prediction using united-residue conformational search via stepwise, probabilistic sampling.

ABSTRACT:

Motivation

Recent experimental studies have suggested that proteins fold via stepwise assembly of structural units named 'foldons' through the process of sequential stabilization. Alongside, latest developments on computational side based on probabilistic modeling have shown promising direction to perform de novo protein conformational sampling from continuous space. However, existing computational approaches for de novo protein structure prediction often randomly sample protein conformational space as opposed to experimentally suggested stepwise sampling.

Results

Here, we develop a novel generative, probabilistic model that simultaneously captures local structural preferences of backbone and side chain conformational space of polypeptide chains in a united-residue represent

SUBMITTER: Bhattacharya D 

PROVIDER: S-EPMC5018369 | biostudies-literature | 2016 Sep

REPOSITORIES: biostudies-literature