TORSION ANGLE DYNAMICS FOR NMR STRUCTURE CALCULATION WITH THE NEW PROGRAM DYANA
作者： P. Güntert , C. Mumenthaler , K. Wüthrich
关键词: Degrees of freedom (statistics) 、 Cyana 、 Crystallography 、 Cartesian coordinate system 、 Computational physics 、 Two-dimensional nuclear magnetic resonance spectroscopy 、 Chemistry 、 Molecular dynamics 、 Computation 、 Dihedral angle 、 Conformational isomerism
摘要: … Although we concentrate here on the aspect of NMR structure calculation, a detailed presentation of the algorithms underlying the high ef®ciency of DYANA for sampling of the …
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