The prediction of protein structure from amino acid sequence is a grand challenge of computational molecular biology. By using a combination of improved low- and high-resolution conformational sampling methods, improved atomically detailed potential functions that capture the jigsaw puzzle-like packing of protein cores, and high-performance computing, high-resolution structure prediction (<1.5 angstroms) can be achieved for small protein domains (<85 residues). The primary bottleneck to consistent high-resolution prediction appears to be conformational sampling.
%0 Journal Article
%1 citeulike:322839
%A Bradley, Philip
%A Misura, Kira M.
%A Baker, David
%D 2005
%J Science
%K ab-initio, post-defense, predictions, rosetta, structure
%N 5742
%P 1868--1871
%R 10.1126/science.1113801
%T Toward High-Resolution de Novo Structure Prediction for Small Proteins
%U http://dx.doi.org/10.1126/science.1113801
%V 309
%X The prediction of protein structure from amino acid sequence is a grand challenge of computational molecular biology. By using a combination of improved low- and high-resolution conformational sampling methods, improved atomically detailed potential functions that capture the jigsaw puzzle-like packing of protein cores, and high-performance computing, high-resolution structure prediction (<1.5 angstroms) can be achieved for small protein domains (<85 residues). The primary bottleneck to consistent high-resolution prediction appears to be conformational sampling.
@article{citeulike:322839,
abstract = {The prediction of protein structure from amino acid sequence is a grand challenge of computational molecular biology. By using a combination of improved low- and high-resolution conformational sampling methods, improved atomically detailed potential functions that capture the jigsaw puzzle-like packing of protein cores, and high-performance computing, high-resolution structure prediction (<1.5 angstroms) can be achieved for small protein domains (<85 residues). The primary bottleneck to consistent high-resolution prediction appears to be conformational sampling.},
added-at = {2009-05-19T18:00:18.000+0200},
author = {Bradley, Philip and Misura, Kira M. and Baker, David},
biburl = {https://www.bibsonomy.org/bibtex/2e87e51262c3c8b0bc556eb0a42efb4ee/earthfare},
citeulike-article-id = {322839},
description = {CiteULike: Everyone's library},
doi = {10.1126/science.1113801},
interhash = {cb63637dbe5e761e02adb98a871780d0},
intrahash = {e87e51262c3c8b0bc556eb0a42efb4ee},
journal = {Science},
keywords = {ab-initio, post-defense, predictions, rosetta, structure},
month = {September},
number = 5742,
pages = {1868--1871},
posted-at = {2009-05-19 04:17:00},
priority = {2},
timestamp = {2009-05-19T18:03:27.000+0200},
title = {Toward High-Resolution de Novo Structure Prediction for Small Proteins},
url = {http://dx.doi.org/10.1126/science.1113801},
volume = 309,
year = 2005
}