LISE: a server using ligand-interacting and site-enriched protein triangles for prediction of ligand-binding sites.

ABSTRACT: LISE is a web server for a novel method for predicting small molecule binding sites on proteins. It differs from a number of servers currently available for such predictions in two aspects. First, rather than relying on knowledge of similar protein structures, identification of surface cavities or estimation of binding energy, LISE computes a score by counting geometric motifs extracted from sub-structures of interaction networks connecting protein and ligand atoms. These network motifs take into account spatial and physicochemical properties of ligand-interacting protein surface atoms. Second, LISE has now been more thoroughly tested, as, in addition to the evaluation we previously reported using two commonly used small benchmark test sets and targets of two community-based experiments on

SUBMITTER: Xie ZR 

PROVIDER: S-EPMC3692107 | biostudies-literature | 2013 Jul

REPOSITORIES: biostudies-literature