Pictorial Structures for Molecular Modeling: Interpreting Density Maps

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 4

• Type: Conference
• Year: 2004
• Where: NIPS
• Authors: Frank DiMaio, Jude W. Shavlik, George N. Phillips
• Keywords: Density Maps, NIPS 2004, NIPS 2007, Pictorial Structure, Way Protein Structures