RING NMR dynamics: software for analysis of multiple NMR relaxation experiments
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作者:
Beckwith, Martha A.
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CUNY Adv Sci Res Ctr, Struct Biol Initiat, 85 St Nicholas Terrace, New York, NY 10031 USACUNY Adv Sci Res Ctr, Struct Biol Initiat, 85 St Nicholas Terrace, New York, NY 10031 USA
Beckwith, Martha A.
[1
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Erazo-Colon, Teddy
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CUNY Adv Sci Res Ctr, Struct Biol Initiat, 85 St Nicholas Terrace, New York, NY 10031 USACUNY Adv Sci Res Ctr, Struct Biol Initiat, 85 St Nicholas Terrace, New York, NY 10031 USA
Erazo-Colon, Teddy
[1
]
Johnson, Bruce A.
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CUNY Adv Sci Res Ctr, Struct Biol Initiat, 85 St Nicholas Terrace, New York, NY 10031 USACUNY Adv Sci Res Ctr, Struct Biol Initiat, 85 St Nicholas Terrace, New York, NY 10031 USA
Johnson, Bruce A.
[1
]
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[1] CUNY Adv Sci Res Ctr, Struct Biol Initiat, 85 St Nicholas Terrace, New York, NY 10031 USA
Molecular motions are fundamental to the existence of life, and NMR spectroscopy remains one of the most useful and powerful methods to measure their rates and molecular characteristics. Multiple experimental methods are available for measuring the NMR relaxation properties and these can require different methods for extracting model parameters. We present here a new software application, RING NMR Dynamics, that is designed to support analysis of multiple relaxation types. The initial release of RING NMR Dynamics supports the analysis of exponential decay experiments such as T-1 and T-2, as well as CEST and R-2 and R-1 rho relaxation dispersion. The software runs on multiple operating systems in both a command line mode and a user-friendly GUI that allows visualizing and simulating relaxation data. Interaction with another program, NMRFx Analyst, allows drilling down from the derived relaxation parameters to the raw spectral data.