PatchSurfers: Two methods for local molecular property-based binding ligand prediction.

ABSTRACT: Protein function prediction is an active area of research in computational biology. Function prediction can help biologists make hypotheses for characterization of genes and help interpret biological assays, and thus is a productive area for collaboration between experimental and computational biologists. Among various function prediction methods, predicting binding ligand molecules for a target protein is an important class because ligand binding events for a protein are usually closely intertwined with the proteins' biological function, and also because predicted binding ligands can often be directly tested by biochemical assays. Binding ligand prediction methods can be classified into two types: those which are based on protein-protein (or pocket-pocket) comparison, and those that compa

SUBMITTER: Shin WH 

PROVIDER: S-EPMC4718779 | biostudies-literature | 2016 Jan

REPOSITORIES: biostudies-literature