Conformational entropy in molecular recognition

摘要

The present invention provides methods for the determination of the degree of molecular recognition of a protein with a ligand, including a first protein with a second protein. The methods may comprise determining the squared generalized order parameter (hereinafter, O) for at least one intramolecular bond of the first protein. The protein is then formed into a complex with a ligand. The value or values of O2 for the said at least one bond of the protein is then determined while the protein and the ligand are in the complex. The O value or values determined for the protein while the protein and the ligand are in a complex are compared or related to the O value or values determined for the uncomplexed protein.