Ontology highlight
ABSTRACT:
SUBMITTER: Petrone P
PROVIDER: S-EPMC1367309 | biostudies-literature | 2006 Mar
REPOSITORIES: biostudies-literature
Petrone Paula P Pande Vijay S VS
Biophysical journal 20051216 5
We suggest a simple method to assess how many normal modes are needed to map a conformational change. By projecting the conformational change onto a subspace of the normal-mode vectors and using root mean square deviation as a test of accuracy, we find that the first 20 modes only contribute 50% or less of the total conformational change in four test cases (myosin, calmodulin, NtrC, and hemoglobin). In some allosteric systems, like the molecular switch NtrC, the conformational change is localize ...[more]