Pictorial Structures for Molecular Modeling: Interpreting Density Maps
Abstract
X-ray crystallography is currently the most common way protein structures are elucidated. One of the most time-consuming steps in the crystallographic process is interpretation of the electron density map, a task that involves finding patterns in a three-dimensional picture of a protein. This paper describes DEFT (DEFormable Template), an algorithm using pictorial structures to build a flexible protein model from the protein's amino-acid sequence. Matching this pictorial structure into the density map is a way of automating density-map interpretation. Also described are several extensions to the pictorial structure matching algorithm necessary for this automated interpretation. DEFT is tested on a set of density maps ranging from 2 to 4Å resolution, producing root- mean-squared errors ranging from 1.38 to 1.84Å.
Cite
Text
Dimaio et al. "Pictorial Structures for Molecular Modeling: Interpreting Density Maps." Neural Information Processing Systems, 2004.Markdown
[Dimaio et al. "Pictorial Structures for Molecular Modeling: Interpreting Density Maps." Neural Information Processing Systems, 2004.](https://mlanthology.org/neurips/2004/dimaio2004neurips-pictorial/)BibTeX
@inproceedings{dimaio2004neurips-pictorial,
title = {{Pictorial Structures for Molecular Modeling: Interpreting Density Maps}},
author = {Dimaio, Frank and Phillips, George and Shavlik, Jude W.},
booktitle = {Neural Information Processing Systems},
year = {2004},
pages = {369-376},
url = {https://mlanthology.org/neurips/2004/dimaio2004neurips-pictorial/}
}