NMR-based assignment of isoleucinevs.allo-isoleucine stereochemistry
نویسندگان
چکیده
منابع مشابه
Towards Automated Structure-based NMR Assignment
We introduce the “Automated Structure-based Assignment” problem: Given a reference 3D structure, a protein sequence, and its NMR spectra, automatically interpret the NMR spectra and do backbone resonance assignment. We then propose a solution to solve this problem. The core of the solution is a novel integer linear programming model, which is a general framework for many versions of the structu...
متن کاملTowards Automated Structure-Based NMR Resonance Assignment
We propose a general framework for solving the structurebased NMR backbone resonance assignment problem. The core is a novel 0-1 integer programming model that can start from a complete or partial assignment, generate multiple assignments, and model not only the assignment of spins to residues, but also pairwise dependencies consisting of pairs of spins to pairs of residues. It is still a chall...
متن کاملAutomated NMR Resonance Assignment
The overview of Autolink. The overview of Autolink is shown in Figure 1. The input data are spin systems obtained from CARA [2]. All possible spin system parings are considered and a “fitness” score is computed for each pair. A pair of spin systems and their fitness score form a “link hypothesis”. Each fitness score consists of several sub-scores representing specific resonance comparisons, suc...
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Journal of the American Chemical Society is published by the American Chemical Society. 1155 Sixteenth Street N.W., Washington, DC 20036 Communication Stereochemistry of Sagittamide A from Residual Dipolar Coupling Enhanced NMR Anne Schuetz, Jochen Junker, Andrei Leonov, Oliver F. Lange, Tadeusz F. Molinski, and Christian Griesinger J. Am. Chem. Soc., 2007, 129 (49), 15114-15115• DOI: 10.1021/j...
متن کاملA graph-based automated NMR backbone resonance sequential assignment.
The success in backbone resonance sequential assignment is fundamental to protein three dimensional structure determination via NMR spectroscopy. Such a sequential assignment can roughly be partitioned into three separate steps, which are grouping resonance peaks in multiple spectra into spin systems, chaining the resultant spin systems into strings, and assigning strings of spin systems to non...
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ژورنال
عنوان ژورنال: Organic & Biomolecular Chemistry
سال: 2017
ISSN: 1477-0520,1477-0539
DOI: 10.1039/c7ob01995e