Protein-Ligand NOE Matching: A High-Throughput Method for Binding Pose Evaluation That Does Not Require Protein NMR Resonance Assignments.

Given the three-dimensional (3D) structure of a protein, the binding pose of a ligand can be determined using distance restraints derived from assigned intra-ligand and protein-ligand nuclear Overhauser effects (NOEs). A primary limitation of this approach is the need for resonance assignments of th...

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Publicado en:	Journal of the American Chemical Society Vol. 128; no. 22; pp. 7252 - 7264
Autores principales:	Constantine, Keith L., Davis, Malcolm E., Metzler, William J., Mueller, Luciano, Claus, Brian L.
Formato:	Artículo
Publicado:	American Chemical Society 6/7/2006
Materias:	Proteins Ligands (Chemistry) Molecular structure Nuclear magnetic resonance Fatty acids Antigens
Acceso en línea:	Ver este registro en EBSCOhost