CPORT: a consensus interface predictor and its performance in prediction-driven docking with HADDOCK.

ABSTRACT:

Background

Macromolecular complexes are the molecular machines of the cell. Knowledge at the atomic level is essential to understand and influence their function. However, their number is huge and a significant fraction is extremely difficult to study using classical structural methods such as NMR and X-ray crystallography. Therefore, the importance of large-scale computational approaches in structural biology is evident. This study combines two of these computational approaches, interface prediction and docking, to obtain atomic-level structures of protein-protein complexes, starting from their unbound components.

Methodology/principal findings

Here we combine six interface prediction web servers into a consensus method called CPORT (Consensus Prediction Of interface Residu

SUBMITTER: de Vries SJ 

PROVIDER: S-EPMC3064578 | biostudies-literature | 2011 Mar

REPOSITORIES: biostudies-literature