CHARACTERIZATION OF INTERACTIONS BETWEEN MOLECULAR INTERACTION SITES OF RNA AND LIGANDS THEREFOR

摘要

The present invention is directed to methods of identifying compounds which bind to a molecular interaction site of a nucleic acid comprising providing a numerical representation of the three-dimensional structure of the molecular interaction site, providing a compound data set comprising numerical representations of the three-dimensional structures of a plurality of organic compounds, and comparing the numerical representation of the molecular interaction site with members of the compound data set to generate a hierarchy of organic compounds ranked in accordance with the ability of the organic compounds to form physical interactions with the molecular interaction site. Data sets comprising the numerical representations of the three-dimensional structures of molecular interaction sites, and comprising the numerical representations of the three-dimensional structure of a plurality of organic compounds are also described.