2016年
NMR spectral analysis using prior knowledge
INTERNATIONAL MEETING ON HIGH-DIMENSIONAL DATA-DRIVEN SCIENCE (HD3-2015)
- ,
- ,
- ,
- 巻
- 699
- 号
- 1
- 開始ページ
- 012003
- 終了ページ
- 記述言語
- 英語
- 掲載種別
- 研究論文(国際会議プロシーディングス)
- DOI
- 10.1088/1742-6596/699/1/012003
- 出版者・発行元
- IOP PUBLISHING LTD
Signal assignment is a fundamental step for analyses of protein structure and dynamics with nuclear magnetic resonance (NMR). Main-chain signal assignment is achieved with a sequential assignment method and/or an amino-acid selective stable isotope labeling (AASIL) method. Combinatorial selective labeling (CSL) methods, as well as our labeling strategy, stable isotope encoding (SiCode), were developed to reduce the required number of labeled samples, since one of the drawbacks of AASIL is that many samples are needed. Signal overlapping in NMR spectra interferes with amino-acid determination by CSL and SiCode. Since spectral deconvolution by peak fitting with a gradient method cannot resolve closely overlapped signals, we developed a new method to perform both peak fitting and amino acid determination simultaneously, with a replica exchange Monte Carlo method, incorporating prior knowledge of stable-isotope labeling ratios and the amino-acid sequence of the protein.
- リンク情報
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- DOI
- https://doi.org/10.1088/1742-6596/699/1/012003
- Web of Science
- https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000376066400003&DestApp=WOS_CPL
- URL
- http://stacks.iop.org/1742-6596/699/i=1/a=012003
- URL
- http://orcid.org/0000-0003-0146-9719
- ID情報
-
- DOI : 10.1088/1742-6596/699/1/012003
- ISSN : 1742-6588
- ORCIDのPut Code : 37228100
- Web of Science ID : WOS:000376066400003
- ORCIDで取得されたその他外部ID : a:1:{i:0;a:1:{s:14:"source-work-id";s:18:"0929171027952-3170";}}