Michele Invernici,Inês B Trindade,Francesca Cantini et al.
Michele Invernici et al.
The enhancement of nuclear relaxation rates due to the interaction with a paramagnetic center (known as Paramagnetic Relaxation Enhancement) is a powerful source of structural and dynamics information, widely used in structural biology. How...
Principal component analysis for automated classification of 2D spectra and interferograms of protein therapeutics: influence of noise, reconstruction details, and data preparation [0.03%]
用于蛋白质治疗药物二维光谱和干涉图的主成分分析自动化分类：噪声、重建细节和数据准备的影响
Robert G Brinson,K Wade Elliott,Luke W Arbogast et al.
Robert G Brinson et al.
Protein therapeutics have numerous critical quality attributes (CQA) that must be evaluated to ensure safety and efficacy, including the requirement to adopt and retain the correct three-dimensional fold without forming unintended aggregate...
A CEST NMR experiment to obtain glycine 1Hα chemical shifts in 'invisible' minor states of proteins [0.03%]
一种CEST核磁实验方法用于获得蛋白质“隐形”亚稳态中甘氨酸氢的化学偏移值
Ved Prakash Tiwari,Pramodh Vallurupalli
Ved Prakash Tiwari
Chemical exchange saturation transfer (CEST) experiments are routinely used to study protein conformational exchange between a 'visible' major state and 'invisible' minor states because they can detect minor states with lifetimes varying fr...
Racemic phosphorothioate as a tool for NMR investigations of protein-DNA complexes [0.03%]
使用磷硫酰胺 racemate 研究蛋白质-DNA 复合物的核磁共振光谱法
Ridvan Nepravishta,Channing C Pletka,Junji Iwahara
Ridvan Nepravishta
A major driving force for protein-nucleic acid association is electrostatic interactions via ion pairs of the positively charged basic side chains and negatively charged phosphates. For a better understanding of how proteins scan DNA and re...
Andras Boeszoermenyi,Barbara Ogórek,Akshay Jain et al.
Andras Boeszoermenyi et al.
The fluorine-19 nucleus was recognized early to harbor exceptional properties for NMR spectroscopy. With 100% natural abundance, a high gyromagnetic ratio (83% sensitivity compared to 1H), a chemical shift that is extremely sensitive to its...
CcpNmr AnalysisScreen, a new software programme with dedicated automated analysis tools for fragment-based drug discovery by NMR [0.03%]
一种新的用于基于片段的药物发现的NMR专业自动化分析工具软件CCPNMR ANALYSESREEN
Luca G Mureddu,Timothy J Ragan,Edward J Brooksbank et al.
Luca G Mureddu et al.
Fragment-based drug discovery or FBDD is one of the main methods used by industry and academia for identifying drug-like candidates in early stages of drug discovery. NMR has a significant impact at any stage of the drug discovery process, ...
Thomas Müntener,Raphael Böhm,Kenneth Atz et al.
Thomas Müntener et al.
NMR pseudocontact shifts are a valuable tool for structural and functional studies of proteins. Protein multimers mediate key functional roles in biology, but methods for their study by pseudocontact shifts are so far not available. Paramag...
Protein-ligand structure determination with the NMR molecular replacement tool, NMR2 [0.03%]
利用NMR分子置换工具(NMR2)确定蛋白质-配体结构
Julien Orts,Roland Riek
Julien Orts
We recently reported on a new method called NMR Molecular Replacement that efficiently derives the structure of a protein-ligand complex at the interaction site. The method was successfully applied to high and low affinity complexes coverin...
Reto Horst,Kathleen A Farley,Bethany L Kormos et al.
Reto Horst et al.
Nuclear magnetic resonance (NMR) spectroscopy has evolved into a powerful tool within drug discovery over the last two decades. While traditionally being used by medicinal chemists for small molecule structure elucidation, it can also be a ...
Pressure dependence of side chain 1H and 15N-chemical shifts in the model peptides Ac-Gly-Gly-Xxx-Ala-NH2 [0.03%]
模型多肽Ac-Gly-Gly-Xxx-Ala-NH2中边链1H和15N化学位移的压致效应研究
Markus Beck Erlach,Joerg Koehler,Claudia E Munte et al.
Markus Beck Erlach et al.
For interpreting the pressure induced shifts of resonance lines of folded as well as unfolded proteins the availability of data from well-defined model systems is indispensable. Here, we report the pressure dependence of 1H and 15N chemical...