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.
Location and basic characterization of channels in molecular structures.
Analysis of access/egress paths to biomolecular channels. A 3D graphical representation of the channel is displayed along with a list of lining residues and biochemical properties.
EnzymeMiner identifies putative members of enzyme families or subfamilies and facilitates the selection of promising targets for experimental characterization. Two key selection criteria are (i) the predicted solubility and (ii) the sequence identities visualised using an interactive sequence similarity network. The search query can be a sequence from the Swiss-Prot database or a custom sequence with a custom description of essential residues. The output is an interactive selection table containing annotated identified sequences.
A comprehensive resource of channels, pores and tunnels found in biomacromolecular structures deposited in the Protein Data Bank.