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.

New opportunities for tensor-free calculations of residual dipolar couplings for the study of protein dynamics / R. Montalvao, C. Camilloni, A. De Simone, M. Vendruscolo. - In: JOURNAL OF BIOMOLECULAR NMR. - ISSN 0925-2738. - 58:4(2014), pp. 233-238. [10.1007/s10858-013-9801-3]

New opportunities for tensor-free calculations of residual dipolar couplings for the study of protein dynamics

C. Camilloni
Secondo
;
2014

Abstract

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.
Alignment tensor; Residual dipolar couplings; Structural ensembles; Protein Conformation; Proteins; Models, Molecular; Nuclear Magnetic Resonance, Biomolecular; Spectroscopy; Biochemistry; Medicine (all)
Settore FIS/07 - Fisica Applicata(Beni Culturali, Ambientali, Biol.e Medicin)
2014
Article (author)
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/494803
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