Incorporating NOE-Derived Distances in Conformer Generation of Cyclic Peptides with Distance Geometry
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DOI: 10.1021/acs.jcim.1c01165
Abstract: Nuclear magnetic resonance (NMR) data from NOESY (nuclear Overhauser enhancement spectroscopy) and ROESY (rotating frame Overhauser enhancement spectroscopy) experiments can easily be combined with distance geometry (DG) based conformer generators by modifying the molecular distance… read more here.
Keywords: geometry; cyclic peptides; spectroscopy; distance geometry ... See more keywords