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Prediction of binding hot spot residues by using structural and evolutionary parameters.


ABSTRACT: In this work, we present a method for predicting hot spot residues by using a set of structural and evolutionary parameters. Unlike previous studies, we use a set of parameters which do not depend on the structure of the protein in complex, so that the predictor can also be used when the interface region is unknown. Despite the fact that no information concerning proteins in complex is used for prediction, the application of the method to a compiled dataset described in the literature achieved a performance of 60.4%, as measured by F-Measure, corresponding to a recall of 78.1% and a precision of 49.5%. This result is higher than those reported by previous studies using the same data set.

SUBMITTER: Higa RH 

PROVIDER: S-EPMC3036045 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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Prediction of binding hot spot residues by using structural and evolutionary parameters.

Higa Roberto Hiroshi RH   Tozzi Clésio Luis CL  

Genetics and molecular biology 20090701 3


In this work, we present a method for predicting hot spot residues by using a set of structural and evolutionary parameters. Unlike previous studies, we use a set of parameters which do not depend on the structure of the protein in complex, so that the predictor can also be used when the interface region is unknown. Despite the fact that no information concerning proteins in complex is used for prediction, the application of the method to a compiled dataset described in the literature achieved a  ...[more]

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