Sampling Bottlenecks in De novo Protein Structure Prediction
نویسندگان
چکیده
منابع مشابه
Sampling bottlenecks in de novo protein structure prediction.
The primary obstacle to de novo protein structure prediction is conformational sampling: the native state generally has lower free energy than nonnative structures but is exceedingly difficult to locate. Structure predictions with atomic level accuracy have been made for small proteins using the Rosetta structure prediction method, but for larger and more complex proteins, the native state is v...
متن کاملDe Novo Protein Structure Prediction
An unparalleled amount of sequence data is being made available from large-scale genome sequencing efforts. The data provide a shortcut to the determination of the function of a gene of interest, as long as there is an existing sequenced gene with similar sequence and of known function. This has spurred structural genomic initiatives with the goal of determining as many protein folds as possibl...
متن کاملUniCon3D: de novo protein structure prediction using united-residue conformational search via stepwise, probabilistic sampling
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 computati...
متن کاملTowards de novo RNA 3D structure prediction
RNA is a fundamental class of biomolecules that mediate a large variety of molecular processes within the cell. Computational algorithms can be of great help in the understanding of RNA structure-function relationship. One of the main challenges in this field is the development of structure-prediction algorithms, which aim at the prediction of the three-dimensional (3D) native fold from the sol...
متن کاملFrag'r'Us: knowledge-based sampling of protein backbone conformations for de novo structure-based protein design
MOTIVATION The remodeling of short fragment(s) of the protein backbone to accommodate new function(s), fine-tune binding specificities or change/create novel protein interactions is a common task in structure-based computational design. Alternative backbone conformations can be generated de novo or by redeploying existing fragments extracted from protein structures i.e. knowledge-based. We pres...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Molecular Biology
سال: 2009
ISSN: 0022-2836
DOI: 10.1016/j.jmb.2009.07.063