Location and basic characterization of channels in molecular structures.
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.
Provides a direct access to MOLE functionality and enables on-line and easy-to-use interactive channel analysis.
Novel machine learning-based method for prediction of ligand binding sites from protein structure.
A comprehensive resource of channels, pores and tunnels found in biomacromolecular structures deposited in the Protein Data Bank.