Publication date: April 2014 Source:Journal of Magnetic Resonance, Volume 241
Author(s): Beat Vögeli , Julien Orts , Dean Strotz , Celestine Chi , Martina Minges , Marielle Aulikki Wälti , Peter Güntert , Roland Riek
Confined by the Boltzmann distribution of the energies of the states, a multitude of structural states are inherent to biomolecules. For a detailed understanding of a protein’s function, its entire structural landscape at atomic resolution and insight into the interconversion between all the structural states (i.e. dynamics) are required. Whereas dedicated trickery with NMR relaxation provides aspects of local dynamics, and 3D structure determination by NMR is well established, only recently have several attempts been made to formulate a more comprehensive description of the dynamics and the structural landscape of a protein. Here, a perspective is given on the use of exact NOEs (eNOEs) for the elucidation of structural ensembles of a protein describing the covered conformational space. Graphical abstract
NMR-Based Explicit Ensemble Dynamics Simulations of Membrane Protein
NMR-Based Explicit Ensemble Dynamics Simulations of Membrane Protein
Publication date: 28 January 2014
Source:Biophysical Journal, Volume 106, Issue 2, Supplement 1</br>
Author(s): Xi Cheng , Wonpil Im</br>
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01-29-2014 12:50 AM
[NMR paper] Protein backbone structure determination using RDC: An inverse kinematics approach with fast and exact solutions
From Mendeley Biomolecular NMR group:
Protein backbone structure determination using RDC: An inverse kinematics approach with fast and exact solutions
International Journal of Quantum Chemistry (2013). Volume: 113, Issue: 8. Pages: 1095-1106. Sotirios I. Pantos, Ekaterini Tiligada et al.
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11-06-2013 06:14 PM
[NMR paper] Protein backbone structure determination using RDC: An inverse kinematics approach with fast and exact solutions
From Mendeley Biomolecular NMR group:
Protein backbone structure determination using RDC: An inverse kinematics approach with fast and exact solutions
International Journal of Quantum Chemistry (2013). Volume: 113, Issue: 8. Pages: 1095-1106. Sotirios I. Pantos, Ekaterini Tiligada et al.
Published using Mendeley: The bibliography manager for researchers
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10-17-2013 12:49 PM
[NMR paper] Protein backbone structure determination using RDC: An inverse kinematics approach with fast and exact solutions
From Mendeley Biomolecular NMR group:
Protein backbone structure determination using RDC: An inverse kinematics approach with fast and exact solutions
International Journal of Quantum Chemistry (2013). Volume: 113, Issue: 8. Pages: 1095-1106. Sotirios I. Pantos, Ekaterini Tiligada et al.
Published using Mendeley: The research tool for desktop & web
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04-11-2013 03:08 PM
Impact of (15)N R(2)/R(1) Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints.
Impact of (15)N R(2)/R(1) Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints.
Impact of (15)N R(2)/R(1) Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints.
J Am Chem Soc. 2011 Apr 4;
Authors: Ryabov Y, Schwieters CD, Clore GM
(15)N R(2)/R(1) relaxation data contain information on molecular shape and size as well as on bond vector orientations relative to...
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04-06-2011 10:54 AM
Impact of 15N R2/R1 Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints
Impact of 15N R2/R1 Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints
Yaroslav Ryabov, Charles D. Schwieters and G. Marius Clore
http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja201020c/aop/images/medium/ja-2011-01020c_0002.gif
Journal of the American Chemical Society
DOI: 10.1021/ja201020c
http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA
http://feeds.feedburner.com/~r/acs/jacsat/~4/3J1IyCLkQMQ
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04-05-2011 10:37 AM
High-resolution protein structure determination starting with a global fold calculated from exact solutions to the RDC equations
High-resolution protein structure determination starting with a global fold calculated from exact solutions to the RDC equations
Abstract We present a novel structure determination approach that exploits the global orientational restraints from RDCs to resolve ambiguous NOE assignments. Unlike traditional approaches that bootstrap the initial fold from ambiguous NOE assignments, we start by using RDCs to compute accurate secondary structure element (SSE) backbones at the beginning of structure calculation. Our structure determination package, called rdc-Panda (RDC-based SSE PAcking with...
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01-09-2011 12:46 PM
[NMR paper] An approach to protein homology modelling based on an ensemble of NMR structures: app
An approach to protein homology modelling based on an ensemble of NMR structures: application to the Sox-5 HMG-box protein.
Related Articles An approach to protein homology modelling based on an ensemble of NMR structures: application to the Sox-5 HMG-box protein.
Protein Eng. 1995 Jul;8(7):615-25
Authors: Adzhubei AA, Laughton CA, Neidle S
A new approach has been developed to reduce multiple protein structures obtained from NMR structure analysis to a smaller number of representative structures which still reflect the structural diversity of...
Towards a true protein movie: A perspective on the potential impact of the ensemble-based structure determination using exact NOEs
Linear Mode
