Torsion-Angle Molecular Dynamics as a Ne
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Evan G. Stein; Luke M. Rice; Axel T. BrΓΌnger
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Article
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1997
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Elsevier Science
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English
β 409 KB
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