Ontology highlight
ABSTRACT:
SUBMITTER: Perez A
PROVIDER: S-EPMC4269272 | biostudies-literature | 2012 Oct
REPOSITORIES: biostudies-literature
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]