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