Exploring protein energy landscapes with hierarchical clustering
Document Type
Conference Proceeding
Publication Date
8-12-2005
Department
Department of Physics
Abstract
In this work we present a new method for investigating local energy minima on a protein energy landscape. The Cα(CA), Cβ(B), and the center of mass of the side chain (CABS) method was employed for generating protein models, but any other method could be used instead. Cα traces from an ensemble of models are hierarchical clustered with the hierarchical clustering of protein models (HCPM) method. The efficiency of this method for sampling and analyzing energy landscapes is shown.
Publication Title
International Journal of Quantum Chemistry
Recommended Citation
Gront, D.,
Hansmann, U. H.,
&
Kolinski, A.
(2005).
Exploring protein energy landscapes with hierarchical clustering.
International Journal of Quantum Chemistry,
105(6), 826-830.
http://doi.org/10.1002/qua.20741
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/3890
Publisher's Statement
© 2005 Wiley Periodicals, Inc. Publisher’s version of record: https://doi.org/10.1002/qua.20741