New opportunities for tensor-free calculations of residual dipolar couplings for the study of protein dynamics.
Residual dipolar couplings (RDCs) can provide exquisitely detailed information about the structure and dynamics of proteins. It is challenging, however, to extract such information from RDC measurements in conformationally heterogeneous states of proteins because of the complex relationship between RDCs and protein structures. To obtain new insights into this problem, we discuss methods of calculating the RDCs that do not require the definition of an alignment tensor. These methods can help in particular in the search of effective ways to use RDCs to characterise disordered or partially disordered states of proteins.
São Carlos Institute of Physics, University of São Paulo, São Carlos, CEP 13566-590, Brazil.
Rinaldo
R
Montalvao
Carlo
C
Camilloni
Alfonso
A
De Simone
Michele
M
Vendruscolo
D008958:Models, Molecular; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*
D011506:Proteins