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Comparative Protein Structure Modeling:
From Protein Sequence to High-accuracy Protein Structure


EMSL Project ID
13304

Abstract

We propose to implement a computational pipeline for high-accuracy protein structure prediction from protein sequence, and carry out testing and evaluation of this computational pipeline on proteins with low sequence identities (< 25%) with their native-like structural folds in the PDB database. This computational pipeline will consist of computational tools for (a) protein fold recognition, (b) sequence-structure alignment, (c) prediction of side-chains, and (d) structural refinement using molecular mechanics methods.

Project Details

Project type
Capability Research
Start Date
2005-03-01
End Date
2006-12-06
Status
Closed

Team

Principal Investigator

Xingling Xu
Institution
eMAT Technology LLC

Team Members

Jun-tao Guo
Institution
University of Georgia

T. Straatsma
Institution
Oak Ridge National Laboratory