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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Main Authors: Olivier Fisette, Patrick Lagüe, Stéphane Gagné, Sébastien Morin
Format: Article
Language:English
Published: Hindawi Limited 2012-01-01
Series:Journal of Biomedicine and Biotechnology
Online Access:http://dx.doi.org/10.1155/2012/254208
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spelling doaj-88cbd2f9f02540eca40c24891702602f2020-11-24T21:40:24ZengHindawi LimitedJournal of Biomedicine and Biotechnology1110-72431110-72512012-01-01201210.1155/2012/254208254208Synergistic Applications of MD and NMR for the Study of Biological SystemsOlivier Fisette0Patrick Lagüe1Stéphane Gagné2Sébastien Morin3Département de Biochimie, de Microbiologie et Bio-Informatique, Université Laval, Québec City, QC, CanadaDépartement de Biochimie, de Microbiologie et Bio-Informatique, Université Laval, Québec City, QC, CanadaDépartement de Biochimie, de Microbiologie et Bio-Informatique, Université Laval, Québec City, QC, CanadaDepartment of Structural Biology, Biozentrum, University of Basel, SwitzerlandModern 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.http://dx.doi.org/10.1155/2012/254208
collection DOAJ
language English
format Article
sources DOAJ
author Olivier Fisette
Patrick Lagüe
Stéphane Gagné
Sébastien Morin
spellingShingle Olivier Fisette
Patrick Lagüe
Stéphane Gagné
Sébastien Morin
Synergistic Applications of MD and NMR for the Study of Biological Systems
Journal of Biomedicine and Biotechnology
author_facet Olivier Fisette
Patrick Lagüe
Stéphane Gagné
Sébastien Morin
author_sort Olivier Fisette
title Synergistic Applications of MD and NMR for the Study of Biological Systems
title_short Synergistic Applications of MD and NMR for the Study of Biological Systems
title_full Synergistic Applications of MD and NMR for the Study of Biological Systems
title_fullStr Synergistic Applications of MD and NMR for the Study of Biological Systems
title_full_unstemmed Synergistic Applications of MD and NMR for the Study of Biological Systems
title_sort synergistic applications of md and nmr for the study of biological systems
publisher Hindawi Limited
series Journal of Biomedicine and Biotechnology
issn 1110-7243
1110-7251
publishDate 2012-01-01
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.
url http://dx.doi.org/10.1155/2012/254208
work_keys_str_mv AT olivierfisette synergisticapplicationsofmdandnmrforthestudyofbiologicalsystems
AT patricklague synergisticapplicationsofmdandnmrforthestudyofbiologicalsystems
AT stephanegagne synergisticapplicationsofmdandnmrforthestudyofbiologicalsystems
AT sebastienmorin synergisticapplicationsofmdandnmrforthestudyofbiologicalsystems
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