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PLoS One. 2010 Aug 23;5(8):e12352. doi: 10.1371/journal.pone.0012352.

Presaging critical residues in protein interfaces-web server (PCRPi-W): a web server to chart hot spots in protein interfaces.

Author information

1
Section of Experimental Therapeutics, Leeds Institute of Molecular Medicine, University of Leeds, Leeds, United Kingdom.

Abstract

BACKGROUND:

It is well established that only a portion of residues that mediate protein-protein interactions (PPIs), the so-called hot spot, contributes the most to the total binding energy, and thus its identification is an important and relevant question that has clear applications in drug discovery and protein design. The experimental identification of hot spots is however a lengthy and costly process, and thus there is an interest in computational tools that can complement and guide experimental efforts.

PRINCIPAL FINDINGS:

Here, we present Presaging Critical Residues in Protein interfaces-Web server (http://www.bioinsilico.org/PCRPi), a web server that implements a recently described and highly accurate computational tool designed to predict critical residues in protein interfaces: PCRPi. PRCPi depends on the integration of structural, energetic, and evolutionary-based measures by using Bayesian Networks (BNs).

CONCLUSIONS:

PCRPi-W has been designed to provide an easy and convenient access to the broad scientific community. Predictions are readily available for download or presented in a web page that includes among other information links to relevant files, sequence information, and a Jmol applet to visualize and analyze the predictions in the context of the protein structure.

PMID:
20808810
PMCID:
PMC2925954
DOI:
10.1371/journal.pone.0012352
[Indexed for MEDLINE]
Free PMC Article
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