FlexE: Using elastic network models to compare models of protein structure.
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ABSTRACT:
SUBMITTER: Perez A
PROVIDER: S-EPMC4269272 | biostudies-literature | 2012 Oct
REPOSITORIES: biostudies-literature
Publications
FlexE: Using elastic network models to compare models of protein structure.
Perez Alberto A Yang Zheng Z Bahar Ivet I Dill Ken A KA MacCallum Justin L JL
Journal of chemical theory and computation 20121001 10
It is often valuable to compare protein structures to determine how similar they are. Structure comparison methods such as RMSD and GDT-TS are based solely on fixed geometry and do not take into account the intrinsic flexibility or energy landscape of the protein. We propose a method, which we call FlexE, that is based on a simple elastic network model and uses the deformation energy as measure of the similarity between two structures. FlexE can distinguish biologically relevant conformational c ...[more]
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