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Protein-peptide docking software tools | Drug discovery

Protein–peptide interactions are involved in a wide range of biological processes and are attractive targets for therapeutic purposes because of their small interfaces. Therefore, effective protein–peptide docking techniques can provide…
CABS-dock
Web

CABS-dock

Performs docking search for the binding site allowing for full flexibility of…

Performs docking search for the binding site allowing for full flexibility of the peptide and small fluctuations of the receptor backbone. CABS-dock employs an efficient peptide docking scheme. It…

GalaxyPepDock
Web

GalaxyPepDock

Performs similarity-based docking by finding templates from the database of…

Performs similarity-based docking by finding templates from the database of experimentally determined structures and building models using energy-based optimization that allows for structural…

NetBoLApan
Web

NetBoLApan

Predicts binding of peptides to any BoLA molecule of known sequence using…

Predicts binding of peptides to any BoLA molecule of known sequence using artificial neural networks (ANNs). NetBoLApan is a web application based on NetMHCpan, a neural network-based…

PIPER-FlexPepDo…
Web

PIPER-FlexPepDock

Offers a global peptide-protein docking protocol. PIPER-FlexPepDock brings into…

Offers a global peptide-protein docking protocol. PIPER-FlexPepDock brings into reach the study and targeted manipulation of a range of additional peptide-mediated interactions not accessible before…

FlexPepDock
Web

FlexPepDock

A high-resolution peptide docking (refinement) protocol, implemented within the…

A high-resolution peptide docking (refinement) protocol, implemented within the Rosetta framework.

PepCrawler
Web

PepCrawler

A tool for deriving binding peptides from protein-protein complexes and…

A tool for deriving binding peptides from protein-protein complexes and prediction of peptide-protein complexes, by performing high-resolution docking refinement and estimation of binding affinity.

CombDock
Desktop

CombDock COMBinatorial assembly by multiple DOCKing

Gives a heuristic solution to a computationally hard problem (NPC). CombDock is…

Gives a heuristic solution to a computationally hard problem (NPC). CombDock is an algorithm for the automated assembly of protein substructures. This application is able to predict near-native…

MODPROPEP
Web

MODPROPEP

Permits to model peptides ligands in the active site of various major…

Permits to model peptides ligands in the active site of various major histocompatibility complex (MHCs) and protein kinases. MODPROPEP is a web application that can be used for visualization and…

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