PatternExplorer

A web application to define, extract, and analyze structural patterns or biomolecular complexes in real-time.

MOLE PyMOL plugin

Plugin for MOLE 2.0 contains extended options for channel starting point automatic detection, for filtering of obtained channels to select only the relevant channels and allows estimation of basic physicochemical properties of channels.

PatternQuery

A web application to define, extract, and analyze structural patterns or biomolecular complexes in real-time.

ValidatorDB

Database of validation results for ligands and non-standard residues in the Protein Data Bank.

MOLE

Location and basic characterization of channels in molecular structures.

MotiveValidator

A web application for validation of annotation of ligands and
residues.

CaverDock

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.

SPCI

Structural and physico-chemical interpretation of QSAR models

ChannelsDB

A comprehensive resource of channels, pores and tunnels found in biomacromolecular structures deposited in the Protein Data Bank.