A hybrid modeling strategy using Nuclear Overhauser Effect data with contact information

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Title
A hybrid modeling strategy using Nuclear Overhauser Effect data with contact information
Author(s)
T R Kim; Sunyoung Ji; Sanghyuk Lee; In-Sun Chu; S Shin; Jinhyuk Lee
Bibliographic Citation
Chemical Physics Letters, vol. 554, pp. 190-194
Publication Year
2012
Abstract
A hybrid modeling strategy using readily assigned Nuclear Overhauser Effect (NOE) data and main chain N-O contact information from homology template proteins is suggested. They are designed to be complementary. The strategy yields structures with reasonable root-mean square distance (RMSD) and NOE violation. When compared to homology-modeled structures, the hybrid-modeled structures are better in terms of RMSD, RMS NOE violation, and protein-like scores, although the number of used restraints is smaller than the homology modeling. The structure itself can be used as a theoretically modeled structure and also as a starting point for further NOE data assignment in structure determination.
ISSN
0009-2614
Publisher
Elsevier
DOI
http://dx.doi.org/10.1016/j.cplett.2012.09.074
Type
Article
Appears in Collections:
Division of Biomedical Research > Genome Editing Research Center > 1. Journal Articles
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