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Molecular Dynamics Simulation of Site-Directed Spin Labeling: Experimental Validation in Muscle Fibers

โœ Scribed by LaConte, Leslie E.W.; Voelz, Vincent; Nelson, Wendy; Enz, Michael; Thomas, David D.


Book ID
118514614
Publisher
Biophysical Society
Year
2002
Tongue
English
Weight
659 KB
Volume
83
Category
Article
ISSN
0006-3495

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โœ Christopher J. Van Zele; Mark A. Cunningham; Marvin W. Makinen ๐Ÿ“‚ Article ๐Ÿ“… 2001 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 186 KB

## Abstract A molecular mechanics parameter set for the nitroxyl spinโ€label 3โ€formylโ€2,2,5,5โ€tetramethylโ€1โ€oxypyrroline was developed by application of Gaussian94 at the HF/6โ€31G(d) level suitable for use in molecular dynamics simulations. The parameter set was validated through molecular dynamics