Synergistic Applications of MD and NMR for the Study of Biological Systems

Synergistic Applications of MD and NMR for the Study of Biological Systems

Modern biological sciences are becoming more and more multidisciplinary. At the same time, theoretical and computational approaches gain in reliability and their field of application widens. In this short paper, we discuss recent advances in the areas of solution nuclear magnetic resonance (NMR) spe...

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Veröffentlicht in:Journal of biomedicine & biotechnology 2012-01, Vol.2012 (2012), p.1-12
Hauptverfasser: Morin, Sébastien, Gagné, Stéphane, Lagüe, Patrick, Fisette, Olivier
Format: Artikel
Sprache:eng
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Models, Molecular
Molecular Dynamics Simulation
Nuclear Magnetic Resonance, Biomolecular - methods
Protein Conformation
Review
Solutions
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container_end_page 12
container_issue 2012
container_start_page 1
container_title Journal of biomedicine & biotechnology
container_volume 2012
creator Morin, Sébastien
Gagné, Stéphane
Lagüe, Patrick
Fisette, Olivier
description Modern biological sciences are becoming more and more multidisciplinary. At the same time, theoretical and computational approaches gain in reliability and their field of application widens. In this short paper, we discuss recent advances in the areas of solution nuclear magnetic resonance (NMR) spectroscopy and molecular dynamics (MD) simulations that were made possible by the combination of both methods, that is, through their synergistic use. We present the main NMR observables and parameters that can be computed from simulations, and how they are used in a variety of complementary applications, including dynamics studies, model-free analysis, force field validation, and structural studies.
doi_str_mv 10.1155/2012/254208
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subjects Models, Molecular
Molecular Dynamics Simulation
Nuclear Magnetic Resonance, Biomolecular - methods
Protein Conformation
Review
Solutions
title Synergistic Applications of MD and NMR for the Study of Biological Systems
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