Chemical shifts in biomolecules

被引：43

作者：

Case, David A. ^{[1
,2
]}

机构：

[1] Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ 08854 USA

[2] Rutgers State Univ, BioMaPS Inst, Piscataway, NJ 08854 USA

来源：

CURRENT OPINION IN STRUCTURAL BIOLOGY | 2013年 / 23卷 / 02期

关键词：

PROTEIN-STRUCTURE DETERMINATION; SIDE-CHAIN; NMR; PREDICTION; H-1; ROSETTA; ANISOTROPIES; VALIDATION; UBIQUITIN; DYNAMICS;

D O I：

10.1016/j.sbi.2013.01.007

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：

NMR chemical shifts are sensitive probes of structure and dynamics in proteins. Empirical models, based on a large database of measured shifts, take an input structure and provide increasingly accurate estimates of the corresponding shifts. Quantum chemical calculations can provide the same information, with greater generality but (currently) with less accuracy. These methods are now providing new ways to approach NMR structure determination, and new insights into the conformational dynamics of proteins.

引用

页码：172 / 176

页数：5

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