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Protein-surface structure detection software tools | Structure data analysis

Atomistic molecular dynamics simulation is a promising technique to investigate the energetics and dynamics in the protein-surface adsorption process which is of high relevance to modern biotechnological applications. To increase the chance of…
PISA
Web

PISA Protein Data Bank in Europe Proteins Interfaces Structures and Assemblies

Retrieves pre-calculated results for the whole Protein Data Bank (PDB) archive.…

Retrieves pre-calculated results for the whole Protein Data Bank (PDB) archive. PISA is an interactive tool for the exploration of macromolecular interfaces. It calculates results interactively for…

ProtPOS
Desktop

ProtPOS

A self-contained, lightweight, and easy-to-use software package for predicting…

A self-contained, lightweight, and easy-to-use software package for predicting the preferred orientation of protein on a given surface upon initial adsorption. ProtPOS searches quickly for the low…

BsFinder
Desktop

BsFinder

Identifies regions of binding sites on the proteins. BsFinder first proceeds to…

Identifies regions of binding sites on the proteins. BsFinder first proceeds to a local sequence alignment then detects protein surface, and finally compares 3d structures. The software can perform…

RosettaSurface
Desktop

RosettaSurface

A computational structure prediction-based algorithm designed to broadly sample…

A computational structure prediction-based algorithm designed to broadly sample conformational space to identify low-energy structures. The RosettaSurface algorithm addresses the two principal…

HotPatch
Desktop

HotPatch

Finds functional sites on protein structures. HotPatch finds surface patches of…

Finds functional sites on protein structures. HotPatch finds surface patches of unusual physicochemical properties on protein structures, and estimates the patches’ probability of overlapping…

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