Magnetic Resonance Elucidation of Molecule/Macromolecule Interaction Stereochemistry.
Abstract
The work originally proposed for contract N00014-88-K-0202 has been continued and brought to a conclusive point where the methods can be used by other workers. The most recent software developments are the incorporation of model-free order parameters into NOESY simulations and the addition of routines for comparing computer-extracted distances (or cross-rates) with the expectation ranges based on the full spectrum of torsional freedom so as to generate precision estimates for NOE-distances from a single NOESY spectrum. These methods have been used to define the conformational states of a variety of polypeptide and drug molecule systems including: prostaglandin and steroid analogs, rigid and flexible endothelin analogs, and a small protein allergen. Nuclear Magnetic Resonance, Molecular Recognition, NOESY Spectral Simulation, structure Refinement, Software Development.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jul 08, 1992
- Accession Number
- ADA253029
Entities
People
- Niels H. Andersen
Organizations
- University of Washington