Performs rapid analysis of transport processes in proteins. It models the transportation of a ligand from outside environment into the protein active or binding site and vice versa. It implements a novel algorithm to produce contiguous ligand trajectory and estimation of a binding energy along the pathway. The current version uses CAVER for pathway identification and heavily modified Autodock Vina as a docking engine.
A web interface for identification and analysis of tunnels and channels in static protein structures with automated starting point detection.
A tool for interactive visualization and analysis of tunnels, channels and cavities in protein structures.
A tool for identification and analysis of tunnels and channels in static and dynamic protein structures.
FireProt is a web server for an automated design of thermostable mutants. The design of thermostable mutants is based on the integration of structural and evolutionary information obtained from several bioinformatics databases and computational tools.
An automated design of mutations and smart libraries for engineering of protein function and stability and annotation of protein structures.
A PyMOL plugin for identification and analysis of tunnels and channels in static protein structures.