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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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 |
_version_ |
1725926008356339712 |