The Role of Geometric Fit Between Protein Molecules and their Ligands in Determining Biological Specificity Academic Article uri icon


  • Abstract The three-dimensional (3D) structure of most protein complexes reveals a close geometric match between those parts of the respective surfaces of the protein and the ligand that are in contact. In many cases the 3D structure of the components in the complex closely resembles that of the molecules in their free, native state. Geometric matching thus appears to play an important role in determining the structure of a complex. A geometric recognition algorithm was developed to identify molecular surface complementarity. It is based on a …

publication date

  • December 31, 1996