Recognition of functional sites in protein structures.

ABSTRACT: Recognition of regions on the surface of one protein, that are similar to a binding site of another is crucial for the prediction of molecular interactions and for functional classifications. We first describe a novel method, SiteEngine, that assumes no sequence or fold similarities and is able to recognize proteins that have similar binding sites and may perform similar functions. We achieve high efficiency and speed by introducing a low-resolution surface representation via chemically important surface points, by hashing triangles of physico-chemical properties and by application of hierarchical scoring schemes for a thorough exploration of global and local similarities. We proceed to rigorously apply this method to functional site recognition in three possible ways: first, we search a g

SUBMITTER: Shulman-Peleg A 

PROVIDER: S-EPMC7126412 | biostudies-literature | 2004 Jun

REPOSITORIES: biostudies-literature