We have made several advances in the computational prediction of G-Protein Coupled Receptor (GPCR) structures. Our methods allow more sampling of conformational space, which enables us to predict an ensemble of low-lying structures. This ensemble of structures gives structure predictions that can aid in drug design, and it also can lead to more insights on activation. The methods have been validated by comparison to the available experimental GPCR crystal structures.

Abstract Type
poster
Primary Author
Jenelle Bray
University
California Institute of Technology
Abstract Title
Computational Advances in GPCR Structure Prediction
Abstract Author(s)
Jenelle Bray, William A. Goddard III
Username
bray
Fellowship Year
2006
First Name
Jenelle
Last Name
Bray
Program
CSGF
Area of Study
Chemistry
Poster Group
Group 1
Poster Number
15