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Hot spot detection software tools | Protein structure data analysis

Most molecular and cellular processes are controlled by protein–protein interactions. Proteins interact through interfaces. The energy distribution along the interface region is not homogenous; certain residues contribute more to the binding…
HotRegion
Dataset

HotRegion

Provides the hot region information of the interfaces by using predicted hot…

Provides the hot region information of the interfaces by using predicted hot spot residues, and structural properties of these interface residues such as pair potentials of interface residues,…

FoldX
Web

FoldX

Provides a fast and quantitative estimation of the importance of the…

Provides a fast and quantitative estimation of the importance of the interactions contributing to the stability of proteins and protein complexes.

Robetta
Web

Robetta

Provides automated structure prediction and analysis tools to infer protein…

Provides automated structure prediction and analysis tools to infer protein structural information from genomic data. Robetta uses a fully automated implementation of the Rosetta software package for…

Peptiderive
Web

Peptiderive

A web server which is incorporated within the ROSIE web interface for Rosetta…

A web server which is incorporated within the ROSIE web interface for Rosetta protocols. Peptiderive protocol identifies, in a given structure of a protein-protein interaction, the linear polypeptide…

ANCHOR
Web

ANCHOR

A web-based tool whose aim is to facilitate the analysis of protein-protein…

A web-based tool whose aim is to facilitate the analysis of protein-protein interfaces with regard to its suitability for small molecule drug design.

FTMAP
Web

FTMAP

Performs global search of the entire protein surface for regions that bind a…

Performs global search of the entire protein surface for regions that bind a number of small organic probe molecules.

PCRPi
Web
HotSpot Wizard
Web

HotSpot Wizard

A web app to identifye automatically hot spots and design of smart libraries…

A web app to identifye automatically hot spots and design of smart libraries for engineering proteins’ stability, catalytic activity, substrate specificity and enantioselectivity. HotSpot Wizard…

HotspotEC
Desktop

HotspotEC

Predicts hot spot residues at protein–protein interfaces. HotspotEC is an…

Predicts hot spot residues at protein–protein interfaces. HotspotEC is an ensemble classification method based on the IBk algorithm, an algorithm that extends the K-nearest neighbor (KNN) algorithm…

WDSPdb
Dataset

WDSPdb

A free resource to provide high quality information of WD40 protein structures…

A free resource to provide high quality information of WD40 protein structures and hotspot residues. To better serve the community, a user-friendly interactive web interface to browse, search and…

PCRPi-DB
Dataset

PCRPi-DB Presaging Critical Residues in Protein interfaces DataBase

Provides a public repository of computationally annotated hot spots in protein…

Provides a public repository of computationally annotated hot spots in protein complexes for which the 3D structure is known. PCRPi-DB provides information for drug discovery, structure-based protein…

KFC2
Web

KFC2 Knowledge-based FADE and Contacts

Predicts binding "hot spots" within protein-protein interfaces by…

Predicts binding "hot spots" within protein-protein interfaces by recognizing structural features indicative of important binding contacts.

HSPred
Web

HSPred

A support vector machine (SVM)-based method to predict hot spot residues, given…

A support vector machine (SVM)-based method to predict hot spot residues, given the structure of a complex.

HotPoint
Web

HotPoint

Allows to determine computational hot spots in protein interfaces. HotPoint is…

Allows to determine computational hot spots in protein interfaces. HotPoint is a web server based on solvent accessibility and pair potentials which allows online calculation for all protein…

PredHS
Web

PredHS

A computational method that can effectively identify hot spots on…

A computational method that can effectively identify hot spots on protein-protein interaction interfaces by using optimally structural neighborhood properties.

PLImap
Desktop

PLImap

Uses a systematic search algorithm, combined with Protein-Ligand Informatics…

Uses a systematic search algorithm, combined with Protein-Ligand Informatics force field (PLIff). PLImap is a standalone computer program for fragment mapping. It combines the PLIff energy function…

PocketQuery
Web

PocketQuery

A web interface for exploring the properties of protein-protein interaction…

A web interface for exploring the properties of protein-protein interaction (PPI) interfaces with a focus on the discovery of promising starting points for small-molecule design. PocketQuery rapidly…

HippDB
Dataset

HippDB

Catalogs every protein-protein interaction whose structure is available in the…

Catalogs every protein-protein interaction whose structure is available in the Protein Data Bank and which exhibits one or more helices at the interface. HippDB accepts queries on variables such as…

BID
Dataset

BID Binding Interface Database

Makes information about protein interactive function easily accessible. BID…

Makes information about protein interactive function easily accessible. BID organizes the vast amount of protein interaction information into tables, graphical contact maps and descriptive functional…

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