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Fuzzy Structure Generation: A New Efficient Tool for Computer-Aided Structure Elucidation (CASE).

✍ Scribed by Mikhail E. Elyashberg; Kirill A. Blinov; Sergey G. Molodtsov; Antony J. Williams; Gary E. Martin


Publisher
John Wiley and Sons
Year
2007
Weight
11 KB
Volume
38
Category
Article
ISSN
0931-7597

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Molecular dynamics in torsion-angle space was applied to nuclear magnetic resonance structure calculation using nuclear Overhauser effect-derived distances and J-coupling-constant-derived dihedral angle restraints. Compared to two other commonly used algorithms, molecular dynamics in Cartesian space