Ontology highlight
ABSTRACT:
SUBMITTER: Glantz-Gashai Y
PROVIDER: S-EPMC5225006 | biostudies-literature | 2016 Dec
REPOSITORIES: biostudies-literature
PLoS computational biology 20161221 12
Accurate prediction of active sites is an important tool in bioinformatics. Here we present an improved structure based technique to expose active sites that is based on large changes of solvent accessibility accompanying normal mode dynamics. The technique which detects EXPOsure of active SITes through normal modEs is named EXPOSITE. The technique is trained using a small 133 enzyme dataset and tested using a large 845 enzyme dataset, both with known active site residues. EXPOSITE is also teste ...[more]