Presaging Critical Residues in Protein interfaces-Web Server (PCRPi-W): A Web Server to Chart Hot Spots in Protein Interfaces

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Presaging Critical Residues in Protein interfaces-Web Server (PCRPi-W): A Web Server to Chart Hot Spots in Protein Interfaces

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 costl...

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PCRPi: Presaging Critical Residues in Protein interfaces, a new computational tool to chart hot spots in protein interfaces

Protein-protein interactions (PPIs) are ubiquitous in Biology, and thus offer an enormous potential for the discovery of novel therapeutics. Although protein interfaces are large and lack defining physiochemical traits, is well established that only a small portion of interface residues, the so-called hot spot residues, contribute the most to the binding energy of the protein complex. Moreover,...

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PCRPi-DB: a database of computationally annotated hot spots in protein interfaces

Protein-protein interactions are central to almost any cellular process. Although typically protein interfaces are large, it is well established that only a relatively small region, the so-called 'hot spot', contributes the most to the total binding energy. There is a clear interest in identifying hot spots because of its application in drug discovery and protein design. Presaging Critical Resi...

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PredHS: a web server for predicting protein–protein interaction hot spots by using structural neighborhood properties

Identifying specific hot spot residues that contribute significantly to the affinity and specificity of protein interactions is a problem of the utmost importance. We present an interactive web server, PredHS, which is based on an effective structure-based hot spot prediction method. The PredHS prediction method integrates many novel structural and energetic features with two types of structura...

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Anatomy of hot spots in protein interfaces.

Binding of one protein to another is involved in nearly all biological functions, yet the principles governing the interaction of proteins are not fully understood. To analyze the contributions of individual amino acid residues in protein-protein binding we have compiled a database of 2325 alanine mutants for which the change in free energy of binding upon mutation to alanine has been measured ...

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ژورنال

عنوان ژورنال: PLoS ONE

سال: 2010

ISSN: 1932-6203

DOI: 10.1371/journal.pone.0012352