Geometric Recognition as a Tool for Predicting Structures of Molecular Complexes |
| |
Authors: | Miriam Eisenstein and Ephraim Katchalski-Katzir |
| |
Institution: | (1) Department of Chemical Services, The Weizmann Institute of Science, Rehovot, 76100, Israel;(2) Department of Membrane Research and Biophysics, The Weizmann Institute of Science, Rehovot 76100, Israel |
| |
Abstract: | The structures of two binary complexes (the TEM-1/BLIP complex and the trypsin/amiloride complex) were predicted prior to their experimental determination and compared to the corresponding experimental structures when these became available. In both predictions the rigid-body geometric docking algorithm ranked the correct solution among the top ones. Additional information concerning the structure and chemical character of the binding site of one of the molecules in the complex was used to single out the correct solution. The results indicate that the combination of geometric surface matching with biochemical information produces a useful tool for structure prediction. |
| |
Keywords: | geometric docking molecular recognition structure prediction |
本文献已被 SpringerLink 等数据库收录! |