MOLEonline

MOLEonline analyzes biomolecular channels and pores to detect and characterize structural voids and their physicochemical properties.

Key Features:

• Advanced Visualization Capabilities: Utilizes the LiteMol Viewer visualization engine to produce detailed 3D representations of molecular channels, including lining residues and physicochemical properties.
• Dual Calculation Modes: Supports two calculation modes for general channel analysis and for transmembrane pore–specific analysis.
• Format Compatibility: Processes structures in PDB and mmCIF formats from experimental techniques such as NMR, X-ray crystallography, and cryo-electron microscopy (cryo-EM).
• Integration with Bioinformatics Resources: Interconnects with PDBe, CSA, ChannelsDB, OPM, and UniProt to support analysis setup and contextual interpretation.

Scientific Applications:

• Structural analysis of specific channels: Characterization of α-hemolysin and transient receptor potential mucolipin 1 (TRMP1) pores to investigate their structural profiles and functional mechanisms.

Methodology:

Detection and structural characterization of molecular voids within biomacromolecules and assessment of channels' physicochemical features.