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

被引：5

作者：

Montalvao, Rinaldo ^{[1
]}

Camilloni, Carlo ^{[2
]}

De Simone, Alfonso ^{[2
,3
]}

Vendruscolo, Michele ^{[2
]}

机构：

[1] Univ Sao Paulo, Sao Carlos Inst Phys, BR-13566590 Sao Carlos, SP, Brazil

[2] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England

[3] Univ London Imperial Coll Sci Technol & Med, Div Mol Biosci, London SW7 2AZ, England

来源：

JOURNAL OF BIOMOLECULAR NMR | 2014年 / 58卷 / 04期

基金：

英国生物技术与生命科学研究理事会;

关键词：

Residual dipolar couplings; Alignment tensor; Structural ensembles; INTRINSICALLY DISORDERED PROTEINS; ATOMIC-LEVEL CHARACTERIZATION; CORRELATED MOTIONS; ENERGY LANDSCAPES; NMR; ALIGNMENT; ENSEMBLE; STATES; RESOLUTION; PREDICTION;

D O I：

10.1007/s10858-013-9801-3

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

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.

引用

页码：233 / 238

页数：6

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