Spatial Structure By 1d and 2d Nuclear-relaxation Methods

A detailed conformational investigation of Active Site Peptides (ASP) in solution can be performed for defining the steric aspects of the biological function and for obtaining the structural base for a rational design of new drugs and vaccines. Nuclear Overhauser Effects (NOE) from 1D and 2D spectra and spin-lattice relaxation rates are the main tools for determining internuclear distances and molecular dynamics of ASP. For these molecular systems, the structural analysis of relaxation data is not always straightforward, since multiple conformational equilibria and/or Brownian motions that are intermediate in the NMR time scale may yield undetectable NOEs.