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Allosteric site detection software tools | Protein structure data analysis

Allostery is a fundamental process that regulates a protein’s functional activity through the induction of changes in its conformation and dynamics in response to the perturbation of an effector at a site distinct from the active site, also…
Alloscore
Web

Alloscore

Provides a user-friendly interface to predict the binding affinities of…

Provides a user-friendly interface to predict the binding affinities of allosteric ligand-protein interactions. Furthermore, critical energy contributions that contribute to allosteric binding are…

ASBench
Web

ASBench

Provides a variety of interfaces and graphical visualizations to facilitate the…

Provides a variety of interfaces and graphical visualizations to facilitate the viewing and analysis of allosteric sites in the benchmarking sets, including structural and pharmacophoric properties.…

ANC
Desktop

ANC Allosteric Network Compiler

A modular and scalable modelling methodology that alleviates the regulatory as…

A modular and scalable modelling methodology that alleviates the regulatory as well as the combinatorial complexity of biochemical networks. ANC can provide a basis for scalable, modular and…

MCPath
Web

MCPath

Provides an effective tool for the prediction of key residues that mediate the…

Provides an effective tool for the prediction of key residues that mediate the allosteric communication in an ensemble of pathways and functionally plausible residues. The centrality parameters also…

SPACER
Web

SPACER Server for Predicting Allosteric Communication and Effects of Regulation

Analyzes protein structure, finds potential functional/effector binding sites,…

Analyzes protein structure, finds potential functional/effector binding sites, and shows allosteric communication between the sites. It is possible to explore, for instance, potential effector…

PARS
Web

PARS Protein Allosteric and Regulatory Sites

A server for the prediction of allosteric and regulatory sites on protein…

A server for the prediction of allosteric and regulatory sites on protein structures. PARS queries protein dynamics and structural conservation to identify pockets that may exert a regulatory effect…

AlloPred
Desktop
Web

AlloPred

Predicts allosteric pockets on proteins, was developed. AlloPred uses…

Predicts allosteric pockets on proteins, was developed. AlloPred uses perturbation of normal modes alongside pocket descriptors in a machine learning approach that ranks the pockets on a protein.…

Allosite
Web

Allosite

Uses elegant algorithms such as pocket-based analysis and support vector…

Uses elegant algorithms such as pocket-based analysis and support vector machine (SVM) classifier to predict the location of allosteric sites in proteins. Allosite’s model uses a rigorous selection…

AlloPathFinder
Desktop

AlloPathFinder

A computational method that predicts a pathway of residues that mediate protein…

A computational method that predicts a pathway of residues that mediate protein allosteric communication. The pathway is predicted using only a combination of distance constraints between contiguous…

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