Protein-protein HADDocking using exclusively pseudocontact shifts [0.03%]
仅用伪接触移位进行蛋白质-蛋白质HADDOCKing
Christophe Schmitz,Alexandre M J J Bonvin
Christophe Schmitz
In order to enhance the structure determination process of macromolecular assemblies by NMR, we have implemented long-range pseudocontact shift (PCS) restraints into the data-driven protein docking package HADDOCK. We demonstrate the effici...
AUTOBA: automation of backbone assignment from HN(C)N suite of experiments [0.03%]
AUTOBA：HN(C)N 谱实验的一步式自动骨干指认方法
Aditi Borkar,Dinesh Kumar,Ramakrishna V Hosur
Aditi Borkar
Development of efficient strategies and automation represent important milestones of progress in rapid structure determination efforts in proteomics research. In this context, we present here an efficient algorithm named as AUTOBA (Automati...
relaxGUI: a new software for fast and simple NMR relaxation data analysis and calculation of ps-ns and μs motion of proteins [0.03%]
relaxGUI：一个用于快速简便地分析和计算蛋白质皮秒-纳米秒和微秒运动的NMR弛豫数据的新软件
Michael Bieri,Edward J d&#x;Auvergne,Paul R Gooley
Michael Bieri
Investigation of protein dynamics on the ps-ns and μs-ms timeframes provides detailed insight into the mechanisms of enzymes and the binding properties of proteins. Nuclear magnetic resonance (NMR) is an excellent tool for studying protein...
(31)P NMR correlation maps of (18)O/ (16)O chemical shift isotopic effects for phosphometabolite labeling studies [0.03%]
用于磷代谢标记研究的~(18)O/~(16)O同位素化学位移效应的~(31)p核磁共振相关图谱
Nenad Juranić,Emirhan Nemutlu,Song Zhang et al.
Nenad Juranić et al.
Intramolecular correlations among the (18)O-labels of metabolic oligophosphates, mapped by J-decoupled (31)P NMR 2D chemical shift correlation spectroscopy, impart stringent constraints to the (18)O-isotope distributions over the whole olig...
Sequence correction of random coil chemical shifts: correlation between neighbor correction factors and changes in the Ramachandran distribution [0.03%]
随机线圈化学位移的序列校正：相邻校正因子与Ramachandran分布变化的相关性
Magnus Kjaergaard,Flemming M Poulsen
Magnus Kjaergaard
Random coil chemical shifts are necessary for secondary chemical shift analysis, which is the main NMR method for identification of secondary structure in proteins. One of the largest challenges in the determination of random coil chemical ...
Methods to determine slow diffusion coefficients of biomolecules: applications to Engrailed 2, a partially disordered protein [0.03%]
测定生物大分子缓慢扩散系数的方法及其在部分无序蛋白Engrailed 2中的应用
Rafal Augustyniak,Fabien Ferrage,Raphaël Paquin et al.
Rafal Augustyniak et al.
We present new NMR methods to measure slow translational diffusion coefficients of biomolecules. Like the heteronuclear stimulated echo experiment (XSTE), these new methods rely on the storage of information about spatial localization durin...
Solution structure, dynamics and thermodynamics of the three SH3 domains of CD2AP [0.03%]
CD2AP的三个SH3结构域的溶液结构、动力学和热力学
Jose L Ortega Roldan,Martin Blackledge,Nico A J van Nuland et al.
Jose L Ortega Roldan et al.
CD2 associated protein (CD2AP) is an adaptor protein that plays an important role in cell to cell union needed for the kidney function. It contains three N-terminal SH3 domains that are able to interact among others with CD2, ALIX, c-Cbl an...
Use of optimized 1D TOCSY NMR for improved quantitation and metabolomic analysis of biofluids [0.03%]
优化的一维TOCSY核磁共振在生物流体定量和代谢组分析中的应用
Peter Sandusky,Emmanuel Appiah-Amponsah,Daniel Raftery
Peter Sandusky
One dimensional selective TOCSY experiments have been shown to be advantageous in providing improved data inputs for principle component analysis (PCA) (Sandusky and Raftery 2005a, b). Better subpopulation cluster resolution in the observed...
NMR order parameters calculated in an expanding reference frame: identifying sites of short- and long-range motion [0.03%]
在膨胀参考系中计算的NMR顺序参数：识别短程和长程运动位点
Eric Johnson
Eric Johnson
NMR order parameters are calculated from molecular dynamics computer simulations of ubiquitin and the apo (Ca(2+)-free) state of calbindin D(9k). Calculations are performed in an expanding reference frame so as to discriminate between the e...
A metabolomic comparison of mouse models of the Neuronal Ceroid Lipofuscinoses [0.03%]
啮齿动物神经 ceroid 淀粉样变性的代谢组比较
Reza M Salek,Michael R Pears,Jonathan D Cooper et al.
Reza M Salek et al.
The Neuronal Ceroid Lipofuscinoses (NCL) are a group of fatal inherited neurodegenerative diseases in humans distinguished by a common clinical pathology, characterized by the accumulation of storage body material in cells and gross brain a...
Comparative Study
Journal of biomolecular NMR. 2011 Apr;49(3-4):175-84. DOI:10.1007/s10858-011-9491-7 2011