Computational Analysis of Protein Coevolution and Interaction
Computational modelling of protein interactions (docking) is an important endeavour because protein complexes are difficult to determine by experimental methods alone. Nevertheless, computational prediction of protein interactions is no trivial task either and there is much to be done to improve the reliability of protein docking methods. Protein coevolution traces that are identifiable from the analysis of multiple sequence alignments can help predict protein interacting contacts and can be used to constrain the search space of constrained docking algorithms, such as BiGGER. Although several methods for detecting it have been developed, only a few were extended to the study of protein-protein interactions and not much is known about their ability in identifying contact points. We addressed this issue, developing an integrated system, Pycoevol, that is a set of open source tools for automating the identification of contact points from inter-protein coevolution.